(1-methylindol-3-yl)methyl 5-(2-ethylhexanoylamino)-3-methoxy-2-methyl-benzoate

Systemtic Name: (1-methylindol-3-yl)methyl 5-(2-ethylhexanoylamino)-3-methoxy-2-methyl-benzoate Openeye Name: (1-methylindol-3-yl)methyl 5-(2-ethylhexanoylamino)-3-methoxy-2-methyl-benzoate CAS Name: 5-[(2-ethyl-1-oxohexyl)amino]-3-methoxy-2-methylbenzoic acid (1-methyl-3-indolyl)methyl ester IUPAC Name: (1-methylindol-3-yl)methyl 5-(2-ethylhexanoylamino)-3-methoxy-2-methylbenzoate Traditional Name: 5-(2-ethylhexanoylamino)-3-methoxy-2-methyl-benzoic acid (1-methylindol-3-yl)methyl ester Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC(=C(C(=C1)C(=O)OCC2=CN(C3=CC=CC=C32)C)C)OC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC(=C(C(=C1)C(=O)OCC2=CN(C3=CC=CC=C32)C)C)OC

InChI

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