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

Systemtic Name: methyl 4-[[6-(2-ethylbutylcarbamoyl)-3-phenethyl-indol-1-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[6-(2-ethylbutylcarbamoyl)-3-phenethyl-indol-1-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[6-[(2-ethylbutylamino)-oxomethyl]-3-phenethyl-1-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[6-(2-ethylbutylcarbamoyl)-3-phenethylindol-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[6-(2-ethylbutylcarbamoyl)-3-phenethyl-indol-1-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C33H38N2O4 MolecularWeight: 526.66582

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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)CCC4=CC=CC=C4

Isomeric SMILES

CCC(CC)CNC(=O)C1=CC2=C(C=C1)C(=CN2CC3=C(C=C(C=C3)C(=O)OC)OC)CCC4=CC=CC=C4

InChI

InChI=1S/C33H38N2O4/c1-5-23(6-2)20-34-32(36)25-16-17-29-27(13-12-24-10-8-7-9-11-24)21-35(30(29)18-25)22-28-15-14-26(33(37)39-4)19-31(28)38-3/h7-11,14-19,21,23H,5-6,12-13,20,22H2,1-4H3,(H,34,36)