[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate CAS Name: 2-[[cyclohexyl(methyl)amino]-oxomethyl]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-[cyclohexyl(methyl)carbamoyl]benzoate Traditional Name: 2-[cyclohexyl(methyl)carbamoyl]benzoic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CC=CC=C2C(=O)N(C)C3CCCCC3

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CC=CC=C2C(=O)N(C)C3CCCCC3

InChI

InChI=1S/C26H32N2O4/c1-5-15-28-18(2)16-23(19(28)3)24(29)17-32-26(31)22-14-10-9-13-21(22)25(30)27(4)20-11-7-6-8-12-20/h5,9-10,13-14,16,20H,1,6-8,11-12,15,17H2,2-4H3