methyl 3-[[2-[[(4-cyanophenyl)amino]methyl]-1H-indol-5-yl]carbonyl-phenyl-amino]propanoate

Systemtic Name: methyl 3-[[2-[[(4-cyanophenyl)amino]methyl]-1H-indol-5-yl]carbonyl-phenyl-amino]propanoate Openeye Name: methyl 3-(N-[2-[(4-cyanoanilino)methyl]-1H-indole-5-carbonyl]anilino)propanoate CAS Name: 3-(N-[[2-[(4-cyanoanilino)methyl]-1H-indol-5-yl]-oxomethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 3-(N-[2-[(4-cyanoanilino)methyl]-1H-indole-5-carbonyl]anilino)propanoate Traditional Name: 3-(N-[2-[(4-cyanoanilino)methyl]-1H-indole-5-carbonyl]anilino)propionic acid methyl ester Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)NC(=C3)CNC4=CC=C(C=C4)C#N

Isomeric SMILES

COC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)NC(=C3)CNC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H24N4O3/c1-34-26(32)13-14-31(24-5-3-2-4-6-24)27(33)20-9-12-25-21(15-20)16-23(30-25)18-29-22-10-7-19(17-28)8-11-22/h2-12,15-16,29-30H,13-14,18H2,1H3