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

Systemtic Name: methyl 3-[[4-(2-ethylphenyl)-1-methyl-indol-2-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-[[4-(2-ethylphenyl)-1-methyl-indole-2-carbonyl]amino]propanoate CAS Name: 3-[[[4-(2-ethylphenyl)-1-methyl-2-indolyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl 3-[[4-(2-ethylphenyl)-1-methylindole-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-[[4-(2-ethylphenyl)-1-methyl-indole-2-carbonyl]amino]propionic acid methyl ester Formula: C30H31N3O5 MolecularWeight: 513.58424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=C3C=C(N(C3=CC=C2)C)C(=O)NCC(C(=O)OC)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1C2=C3C=C(N(C3=CC=C2)C)C(=O)NCC(C(=O)OC)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H31N3O5/c1-4-21-13-8-9-14-22(21)23-15-10-16-26-24(23)17-27(33(26)2)28(34)31-18-25(29(35)37-3)32-30(36)38-19-20-11-6-5-7-12-20/h5-17,25H,4,18-19H2,1-3H3,(H,31,34)(H,32,36)