[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)methoxy]benzoate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)methoxy]benzoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(m-tolylmethoxy)benzoate CAS Name: 2-[(3-methylphenyl)methoxy]benzoic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate Traditional Name: 2-(3-methylbenzyl)oxybenzoic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=CC=CC=C2C(=O)OCC(=O)C3=C(N(C(=C3)C)C4CC4)C

Isomeric SMILES

CC1=CC(=CC=C1)COC2=CC=CC=C2C(=O)OCC(=O)C3=C(N(C(=C3)C)C4CC4)C

InChI

InChI=1S/C26H27NO4/c1-17-7-6-8-20(13-17)15-30-25-10-5-4-9-22(25)26(29)31-16-24(28)23-14-18(2)27(19(23)3)21-11-12-21/h4-10,13-14,21H,11-12,15-16H2,1-3H3