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

Systemtic Name: methyl 4-[[5-(2-ethylhexanoylamino)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[5-(2-ethylhexanoylamino)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[5-[(2-ethyl-1-oxohexyl)amino]-1-methyl-3-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[5-(2-ethylhexanoylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[5-(2-ethylhexanoylamino)-1-methyl-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:

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)OC)OC)C

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)OC)OC)C

InChI

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