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

Systemtic Name: methyl 4-[[6-(2-ethylhexanoylamino)-3-methyl-indol-1-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[6-(2-ethylhexanoylamino)-3-methyl-indol-1-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[6-[(2-ethyl-1-oxohexyl)amino]-3-methyl-1-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[6-(2-ethylhexanoylamino)-3-methylindol-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[6-(2-ethylhexanoylamino)-3-methyl-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:

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C(=CN2CC3=C(C=C(C=C3)C(=O)OC)OC)C

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C(=CN2CC3=C(C=C(C=C3)C(=O)OC)OC)C

InChI

InChI=1S/C27H34N2O4/c1-6-8-9-19(7-2)26(30)28-22-12-13-23-18(3)16-29(24(23)15-22)17-21-11-10-20(27(31)33-5)14-25(21)32-4/h10-16,19H,6-9,17H2,1-5H3,(H,28,30)