2-[2-[[(E)-6-(1,3-benzoxazol-2-yl)-3-(4-cyanophenyl)hex-5-en-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]butanedioic acid

Systemtic Name: 2-[2-[[(E)-6-(1,3-benzoxazol-2-yl)-3-(4-cyanophenyl)hex-5-en-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]butanedioic acid Openeye Name: 2-[2-[[(E)-5-(1,3-benzoxazol-2-yl)-2-(4-cyanophenyl)-1-methyl-pent-4-enyl]-(2-naphthylmethyl)amino]-2-oxo-ethyl]butanedioic acid CAS Name: 2-[2-[[(E)-6-(1,3-benzoxazol-2-yl)-3-(4-cyanophenyl)hex-5-en-2-yl]-(2-naphthalenylmethyl)amino]-2-oxoethyl]butanedioic acid IUPAC Name: 2-[2-[[(E)-6-(1,3-benzoxazol-2-yl)-3-(4-cyanophenyl)hex-5-en-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxoethyl]butanedioic acid Traditional Name: 2-[2-[[(E)-5-(1,3-benzoxazol-2-yl)-2-(4-cyanophenyl)-1-methyl-pent-4-enyl]-(2-naphthylmethyl)amino]-2-keto-ethyl]succinic acid Formula: C37H33N3O6 MolecularWeight: 615.67442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC=CC1=NC2=CC=CC=C2O1)C3=CC=C(C=C3)C#N)N(CC4=CC5=CC=CC=C5C=C4)C(=O)CC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(C(C/C=C/C1=NC2=CC=CC=C2O1)C3=CC=C(C=C3)C#N)N(CC4=CC5=CC=CC=C5C=C4)C(=O)CC(CC(=O)O)C(=O)O

InChI

InChI=1S/C37H33N3O6/c1-24(31(28-17-13-25(22-38)14-18-28)9-6-12-34-39-32-10-4-5-11-33(32)46-34)40(35(41)20-30(37(44)45)21-36(42)43)23-26-15-16-27-7-2-3-8-29(27)19-26/h2-8,10-19,24,30-31H,9,20-21,23H2,1H3,(H,42,43)(H,44,45)/b12-6+