methyl 4-[[1-ethyl-5-(2-ethylbutylcarbamoyl)indol-3-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[1-ethyl-5-(2-ethylbutylcarbamoyl)indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[1-ethyl-5-(2-ethylbutylcarbamoyl)indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[1-ethyl-5-[(2-ethylbutylamino)-oxomethyl]-3-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[1-ethyl-5-(2-ethylbutylcarbamoyl)indol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[1-ethyl-5-(2-ethylbutylcarbamoyl)indol-3-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CNC(=O)C1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)OC)OC)CC

Isomeric SMILES

CCC(CC)CNC(=O)C1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)OC)OC)CC

InChI

InChI=1S/C27H34N2O4/c1-6-18(7-2)16-28-26(30)20-11-12-24-23(14-20)22(17-29(24)8-3)13-19-9-10-21(27(31)33-5)15-25(19)32-4/h9-12,14-15,17-18H,6-8,13,16H2,1-5H3,(H,28,30)