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

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)methoxy]benzoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(m-tolylmethoxy)benzoate CAS Name: 2-[(3-methylphenyl)methoxy]benzoic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate Traditional Name: 2-(3-methylbenzyl)oxybenzoic acid [2-(1-allyl-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)CC=C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO4/c1-5-13-27-19(3)15-23(20(27)4)24(28)17-31-26(29)22-11-6-7-12-25(22)30-16-21-10-8-9-18(2)14-21/h5-12,14-15H,1,13,16-17H2,2-4H3