ethyl 4-[4-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[(E)-3-(3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[[(E)-3-(3-methoxyphenyl)acryloyl]amino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C=CC2=CC(=CC=C2)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)/C=C/C2=CC(=CC=C2)OC

InChI

InChI=1S/C22H31N3O5/c1-3-30-22(28)25-14-11-18(12-15-25)24-21(27)8-5-13-23-20(26)10-9-17-6-4-7-19(16-17)29-2/h4,6-7,9-10,16,18H,3,5,8,11-15H2,1-2H3,(H,23,26)(H,24,27)/b10-9+