2-[2-[[4-cyano-2-(3-methoxy-4-phenylmethoxy-phenyl)phenyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: 2-[2-[[4-cyano-2-(3-methoxy-4-phenylmethoxy-phenyl)phenyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: 2-[[2-[2-(4-benzyloxy-3-methoxy-phenyl)-4-cyano-anilino]acetyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[[2-[4-cyano-2-(3-methoxy-4-phenylmethoxyphenyl)anilino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)propanoate IUPAC Name: 2-[[2-[4-cyano-2-(3-methoxy-4-phenylmethoxyphenyl)anilino]acetyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[[2-[2-(4-benzoxy-3-methoxy-phenyl)-4-cyano-anilino]acetyl]amino]-3-(4-hydroxyphenyl)propionate Formula: C32H28N3O6- MolecularWeight: 550.58122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(C=CC(=C2)C#N)NCC(=O)NC(CC3=CC=C(C=C3)O)C(=O)[O-])OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C=CC(=C2)C#N)NCC(=O)NC(CC3=CC=C(C=C3)O)C(=O)[O-])OCC4=CC=CC=C4

InChI

InChI=1S/C32H29N3O6/c1-40-30-17-24(10-14-29(30)41-20-22-5-3-2-4-6-22)26-15-23(18-33)9-13-27(26)34-19-31(37)35-28(32(38)39)16-21-7-11-25(36)12-8-21/h2-15,17,28,34,36H,16,19-20H2,1H3,(H,35,37)(H,38,39)/p-1