methyl 3-methoxy-4-[[2,3,5-trimethyl-6-(2-phenylbutanoylamino)indol-1-yl]methyl]benzoate

Systemtic Name: methyl 3-methoxy-4-[[2,3,5-trimethyl-6-(2-phenylbutanoylamino)indol-1-yl]methyl]benzoate Openeye Name: methyl 3-methoxy-4-[[2,3,5-trimethyl-6-(2-phenylbutanoylamino)indol-1-yl]methyl]benzoate CAS Name: 3-methoxy-4-[[2,3,5-trimethyl-6-[(1-oxo-2-phenylbutyl)amino]-1-indolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-[[2,3,5-trimethyl-6-(2-phenylbutanoylamino)indol-1-yl]methyl]benzoate Traditional Name: 3-methoxy-4-[[2,3,5-trimethyl-6-(2-phenylbutanoylamino)indol-1-yl]methyl]benzoic acid methyl ester Formula: C31H34N2O4 MolecularWeight: 498.61266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=C(C=C3C(=C(N(C3=C2)CC4=C(C=C(C=C4)C(=O)OC)OC)C)C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=C(C=C3C(=C(N(C3=C2)CC4=C(C=C(C=C4)C(=O)OC)OC)C)C)C

InChI

InChI=1S/C31H34N2O4/c1-7-25(22-11-9-8-10-12-22)30(34)32-27-17-28-26(15-19(27)2)20(3)21(4)33(28)18-24-14-13-23(31(35)37-6)16-29(24)36-5/h8-17,25H,7,18H2,1-6H3,(H,32,34)