(2S)-1-[(Z)-2-benzamido-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(Z)-2-benzamido-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(Z)-2-benzamido-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(Z)-2-benzamido-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(Z)-2-benzamido-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(Z)-2-benzamido-3-(4-methoxyphenyl)acryloyl]proline Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C(=O)N2CCCC2C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(/C(=O)N2CCC[C@H]2C(=O)O)\NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O5/c1-29-17-11-9-15(10-12-17)14-18(23-20(25)16-6-3-2-4-7-16)21(26)24-13-5-8-19(24)22(27)28/h2-4,6-7,9-12,14,19H,5,8,13H2,1H3,(H,23,25)(H,27,28)/b18-14-/t19-/m0/s1