methyl 4-[[3-(cyclohexylmethyl)-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[3-(cyclohexylmethyl)-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[3-(cyclohexylmethyl)-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[3-(cyclohexylmethyl)-6-[(2-ethylbutylamino)-oxomethyl]-1-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[3-(cyclohexylmethyl)-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[3-(cyclohexylmethyl)-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C32H42N2O4 MolecularWeight: 518.68688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CNC(=O)C1=CC2=C(C=C1)C(=CN2CC3=C(C=C(C=C3)C(=O)OC)OC)CC4CCCCC4

Isomeric SMILES

CCC(CC)CNC(=O)C1=CC2=C(C=C1)C(=CN2CC3=C(C=C(C=C3)C(=O)OC)OC)CC4CCCCC4

InChI

InChI=1S/C32H42N2O4/c1-5-22(6-2)19-33-31(35)24-14-15-28-27(16-23-10-8-7-9-11-23)21-34(29(28)17-24)20-26-13-12-25(32(36)38-4)18-30(26)37-3/h12-15,17-18,21-23H,5-11,16,19-20H2,1-4H3,(H,33,35)