2-[(2S,3S,4R)-4-(4-but-1-en-2-ylphenyl)carbonyl-2-ethoxycarbonyl-1-phenylmethoxycarbonyl-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[(2S,3S,4R)-4-(4-but-1-en-2-ylphenyl)carbonyl-2-ethoxycarbonyl-1-phenylmethoxycarbonyl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[(2S,3S,4R)-1-benzyloxycarbonyl-2-ethoxycarbonyl-4-[4-(1-methylenepropyl)benzoyl]pyrrolidin-3-yl]acetic acid CAS Name: 2-[(2S,3S,4R)-4-[(4-but-1-en-2-ylphenyl)-oxomethyl]-2-ethoxycarbonyl-1-phenylmethoxycarbonyl-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[(2S,3S,4R)-4-(4-but-1-en-2-ylbenzoyl)-2-ethoxycarbonyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]acetic acid Traditional Name: 2-[(2S,3S,4R)-2-carbethoxy-1-carbobenzoxy-4-[4-(1-ethylvinyl)benzoyl]pyrrolidin-3-yl]acetic acid Formula: C28H31NO7 MolecularWeight: 493.54824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)C1=CC=C(C=C1)C(=O)C2CN(C(C2CC(=O)O)C(=O)OCC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(=C)C1=CC=C(C=C1)C(=O)[C@H]2CN([C@@H]([C@H]2CC(=O)O)C(=O)OCC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H31NO7/c1-4-18(3)20-11-13-21(14-12-20)26(32)23-16-29(28(34)36-17-19-9-7-6-8-10-19)25(27(33)35-5-2)22(23)15-24(30)31/h6-14,22-23,25H,3-5,15-17H2,1-2H3,(H,30,31)/t22-,23-,25-/m0/s1