methyl 4-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acryloyl]amino]benzoic acid methyl ester Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C/C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H22N2O3/c1-13-12-16(14(2)22(13)18-9-10-18)6-11-19(23)21-17-7-4-15(5-8-17)20(24)25-3/h4-8,11-12,18H,9-10H2,1-3H3,(H,21,23)/b11-6+