(Z)-2-(2-chloranylpyridin-3-yl)carbonyl-3-[(1-phenylmethoxycarbonylpyrrolidin-3-yl)amino]prop-2-enoic acid

Systemtic Name: (Z)-2-(2-chloranylpyridin-3-yl)carbonyl-3-[(1-phenylmethoxycarbonylpyrrolidin-3-yl)amino]prop-2-enoic acid Openeye Name: (Z)-3-[(1-benzyloxycarbonylpyrrolidin-3-yl)amino]-2-(2-chloropyridine-3-carbonyl)prop-2-enoic acid CAS Name: (Z)-2-[(2-chloro-3-pyridinyl)-oxomethyl]-3-[(1-phenylmethoxycarbonyl-3-pyrrolidinyl)amino]-2-propenoic acid IUPAC Name: (Z)-2-(2-chloropyridine-3-carbonyl)-3-[(1-phenylmethoxycarbonylpyrrolidin-3-yl)amino]prop-2-enoic acid Traditional Name: (Z)-3-[(1-carbobenzoxypyrrolidin-3-yl)amino]-2-(2-chloronicotinoyl)acrylic acid Formula: C21H20ClN3O5 MolecularWeight: 429.8536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC=C(C(=O)C2=C(N=CC=C2)Cl)C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC1N/C=C(/C(=O)C2=C(N=CC=C2)Cl)\C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H20ClN3O5/c22-19-16(7-4-9-23-19)18(26)17(20(27)28)11-24-15-8-10-25(12-15)21(29)30-13-14-5-2-1-3-6-14/h1-7,9,11,15,24H,8,10,12-13H2,(H,27,28)/b17-11-