ethyl (3S)-1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]-3-(2-phenoxyethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate Traditional Name: (3S)-1-[(E)-3-(1-methylpyrazol-4-yl)acryloyl]-3-(2-phenoxyethyl)nipecotic acid ethyl ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C=CC2=CN(N=C2)C)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)/C=C/C2=CN(N=C2)C)CCOC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O4/c1-3-29-22(28)23(13-15-30-20-8-5-4-6-9-20)12-7-14-26(18-23)21(27)11-10-19-16-24-25(2)17-19/h4-6,8-11,16-17H,3,7,12-15,18H2,1-2H3/b11-10+/t23-/m0/s1