methyl 3-[[4-(2-ethylphenyl)-1H-indol-2-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl 3-[[4-(2-ethylphenyl)-1H-indol-2-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-[[4-(2-ethylphenyl)-1H-indole-2-carbonyl]amino]propanoate CAS Name: 3-[[[4-(2-ethylphenyl)-1H-indol-2-yl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl 3-[[4-(2-ethylphenyl)-1H-indole-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-[[4-(2-ethylphenyl)-1H-indole-2-carbonyl]amino]propionic acid methyl ester Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=C3C=C(NC3=CC=C2)C(=O)NCC(C(=O)OC)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1C2=C3C=C(NC3=CC=C2)C(=O)NCC(C(=O)OC)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O5/c1-3-20-12-7-8-13-21(20)22-14-9-15-24-23(22)16-25(31-24)27(33)30-17-26(28(34)36-2)32-29(35)37-18-19-10-5-4-6-11-19/h4-16,26,31H,3,17-18H2,1-2H3,(H,30,33)(H,32,35)