(2E)-2-benzamido-2-[5-methoxycarbonyl-1-(phenylmethyl)pyrrolidin-2-ylidene]ethanoic acid

Systemtic Name: (2E)-2-benzamido-2-[5-methoxycarbonyl-1-(phenylmethyl)pyrrolidin-2-ylidene]ethanoic acid Openeye Name: (2E)-2-benzamido-2-(1-benzyl-5-methoxycarbonyl-pyrrolidin-2-ylidene)acetic acid CAS Name: (2E)-2-benzamido-2-[5-methoxycarbonyl-1-(phenylmethyl)-2-pyrrolidinylidene]acetic acid IUPAC Name: (2E)-2-benzamido-2-(1-benzyl-5-methoxycarbonylpyrrolidin-2-ylidene)acetic acid Traditional Name: (2E)-2-benzamido-2-(1-benzyl-5-carbomethoxy-pyrrolidin-2-ylidene)acetic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(=C(C(=O)O)NC(=O)C2=CC=CC=C2)N1CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CC/C(=C(/C(=O)O)\NC(=O)C2=CC=CC=C2)/N1CC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O5/c1-29-22(28)18-13-12-17(24(18)14-15-8-4-2-5-9-15)19(21(26)27)23-20(25)16-10-6-3-7-11-16/h2-11,18H,12-14H2,1H3,(H,23,25)(H,26,27)/b19-17+