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

Systemtic Name: methyl 4-[[3-ethyl-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[3-ethyl-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[3-ethyl-6-[(2-ethylbutylamino)-oxomethyl]-1-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[3-ethyl-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[3-ethyl-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C2=C1C=CC(=C2)C(=O)NCC(CC)CC)CC3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CCC1=CN(C2=C1C=CC(=C2)C(=O)NCC(CC)CC)CC3=C(C=C(C=C3)C(=O)OC)OC

InChI

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