(1-methylindol-3-yl)methyl 5-[2-(butylamino)-2-oxidanylidene-ethyl]-3-methoxy-2-methyl-benzoate

Systemtic Name: (1-methylindol-3-yl)methyl 5-[2-(butylamino)-2-oxidanylidene-ethyl]-3-methoxy-2-methyl-benzoate Openeye Name: (1-methylindol-3-yl)methyl 5-[2-(butylamino)-2-oxo-ethyl]-3-methoxy-2-methyl-benzoate CAS Name: 5-[2-(butylamino)-2-oxoethyl]-3-methoxy-2-methylbenzoic acid (1-methyl-3-indolyl)methyl ester IUPAC Name: (1-methylindol-3-yl)methyl 5-[2-(butylamino)-2-oxoethyl]-3-methoxy-2-methylbenzoate Traditional Name: 5-[2-(butylamino)-2-keto-ethyl]-3-methoxy-2-methyl-benzoic acid (1-methylindol-3-yl)methyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CC1=CC(=C(C(=C1)C(=O)OCC2=CN(C3=CC=CC=C32)C)C)OC

Isomeric SMILES

CCCCNC(=O)CC1=CC(=C(C(=C1)C(=O)OCC2=CN(C3=CC=CC=C32)C)C)OC

InChI

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