ethyl 4-[(3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-piperidyl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]-3-piperidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-[(E)-3-(4-methoxyphenyl)acryloyl]-3-piperidyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCCN(C2)C(=O)C=CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCCN(C2)C(=O)/C=C/C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H31N3O4/c1-3-29-22(27)24-15-13-23(14-16-24)19-5-4-12-25(17-19)21(26)11-8-18-6-9-20(28-2)10-7-18/h6-11,19H,3-5,12-17H2,1-2H3/b11-8+/t19-/m0/s1