[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-[(4-methyl-2-oxidanylidene-chromen-7-yl)oxymethyl]benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-[(4-methyl-2-oxidanylidene-chromen-7-yl)oxymethyl]benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-[(4-methyl-2-oxo-chromen-7-yl)oxymethyl]benzoate CAS Name: 4-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxymethyl]benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate Traditional Name: 4-[(2-keto-4-methyl-chromen-7-yl)oxymethyl]benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C26H23N3O6 MolecularWeight: 473.47732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C26H23N3O6/c1-18-14-25(31)35-23-15-21(8-9-22(18)23)33-16-19-4-6-20(7-5-19)26(32)34-17-24(30)29(12-2-10-27)13-3-11-28/h4-9,14-15H,2-3,12-13,16-17H2,1H3