ethyl 1-[(E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]piperidine-3-carboxylate CAS Name: 1-[(E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]piperidine-3-carboxylate Traditional Name: 1-[(E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]acryloyl]nipecotic acid ethyl ester Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)OC)C)C#N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)/C(=C/C2=C(N(C(=C2)C)C3=CC=C(C=C3)OC)C)/C#N

InChI

InChI=1S/C25H29N3O4/c1-5-32-25(30)19-7-6-12-27(16-19)24(29)21(15-26)14-20-13-17(2)28(18(20)3)22-8-10-23(31-4)11-9-22/h8-11,13-14,19H,5-7,12,16H2,1-4H3/b21-14+