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

Systemtic Name: methyl 4-[[5-(2,2-dimethylpropylcarbamoyl)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[5-(2,2-dimethylpropylcarbamoyl)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[5-[(2,2-dimethylpropylamino)-oxomethyl]-1-methyl-3-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[5-(2,2-dimethylpropylcarbamoyl)-1-methylindol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 3-methoxy-4-[[1-methyl-5-(neopentylcarbamoyl)indol-3-yl]methyl]benzoic acid methyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O4/c1-25(2,3)15-26-23(28)17-9-10-21-20(12-17)19(14-27(21)4)11-16-7-8-18(24(29)31-6)13-22(16)30-5/h7-10,12-14H,11,15H2,1-6H3,(H,26,28)