bis[2-[[3-(4-methoxycarbonylphenyl)-5-oxidanylidene-pentan-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] butanedioate

Systemtic Name: bis[2-[[3-(4-methoxycarbonylphenyl)-5-oxidanylidene-pentan-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] butanedioate Openeye Name: bis[2-[[2-(4-methoxycarbonylphenyl)-1-methyl-4-oxo-butyl]-(2-naphthylmethyl)amino]-2-oxo-ethyl] butanedioate CAS Name: butanedioic acid bis[2-[[3-(4-methoxycarbonylphenyl)-5-oxopentan-2-yl]-(2-naphthalenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: bis[2-[[3-(4-methoxycarbonylphenyl)-5-oxopentan-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxoethyl] butanedioate Traditional Name: succinic acid bis[2-[[2-(4-carbomethoxyphenyl)-4-keto-1-methyl-butyl]-(2-naphthylmethyl)amino]-2-keto-ethyl] ester Formula: C56H56N2O12 MolecularWeight: 949.05004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC=O)C1=CC=C(C=C1)C(=O)OC)N(CC2=CC3=CC=CC=C3C=C2)C(=O)COC(=O)CCC(=O)OCC(=O)N(CC4=CC5=CC=CC=C5C=C4)C(C)C(CC=O)C6=CC=C(C=C6)C(=O)OC

Isomeric SMILES

CC(C(CC=O)C1=CC=C(C=C1)C(=O)OC)N(CC2=CC3=CC=CC=C3C=C2)C(=O)COC(=O)CCC(=O)OCC(=O)N(CC4=CC5=CC=CC=C5C=C4)C(C)C(CC=O)C6=CC=C(C=C6)C(=O)OC

InChI

InChI=1S/C56H56N2O12/c1-37(49(27-29-59)43-17-21-45(22-18-43)55(65)67-3)57(33-39-13-15-41-9-5-7-11-47(41)31-39)51(61)35-69-53(63)25-26-54(64)70-36-52(62)58(34-40-14-16-42-10-6-8-12-48(42)32-40)38(2)50(28-30-60)44-19-23-46(24-20-44)56(66)68-4/h5-24,29-32,37-38,49-50H,25-28,33-36H2,1-4H3