methyl 4-[(4-cyanophenyl)amino]-3-[1H-indol-5-yloxycarbonyl(phenyl)amino]butanoate

Systemtic Name: methyl 4-[(4-cyanophenyl)amino]-3-[1H-indol-5-yloxycarbonyl(phenyl)amino]butanoate Openeye Name: methyl 4-(4-cyanoanilino)-3-[N-(1H-indol-5-yloxycarbonyl)anilino]butanoate CAS Name: 4-(4-cyanoanilino)-3-(N-[1H-indol-5-yloxy(oxo)methyl]anilino)butanoic acid methyl ester IUPAC Name: methyl 4-(4-cyanoanilino)-3-[N-(1H-indol-5-yloxycarbonyl)anilino]butanoate Traditional Name: 4-(4-cyanoanilino)-3-[N-(1H-indol-5-yloxycarbonyl)anilino]butyric acid methyl ester Formula: C27H24N4O4 MolecularWeight: 468.50386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CNC1=CC=C(C=C1)C#N)N(C2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)NC=C4

Isomeric SMILES

COC(=O)CC(CNC1=CC=C(C=C1)C#N)N(C2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)NC=C4

InChI

InChI=1S/C27H24N4O4/c1-34-26(32)16-23(18-30-21-9-7-19(17-28)8-10-21)31(22-5-3-2-4-6-22)27(33)35-24-11-12-25-20(15-24)13-14-29-25/h2-15,23,29-30H,16,18H2,1H3