2-phenyl-3-(phenylmethoxycarbonylamino)-2-prop-2-enyl-butanedioic acid

Systemtic Name: 2-phenyl-3-(phenylmethoxycarbonylamino)-2-prop-2-enyl-butanedioic acid Openeye Name: 2-allyl-3-(benzyloxycarbonylamino)-2-phenyl-butanedioic acid CAS Name: 2-phenyl-3-(phenylmethoxycarbonylamino)-2-prop-2-enylbutanedioic acid IUPAC Name: 2-phenyl-3-(phenylmethoxycarbonylamino)-2-prop-2-enylbutanedioic acid Traditional Name: 2-allyl-3-(benzyloxycarbonylamino)-2-phenyl-succinic acid Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C1=CC=CC=C1)(C(C(=O)O)NC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C=CCC(C1=CC=CC=C1)(C(C(=O)O)NC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H21NO6/c1-2-13-21(19(25)26,16-11-7-4-8-12-16)17(18(23)24)22-20(27)28-14-15-9-5-3-6-10-15/h2-12,17H,1,13-14H2,(H,22,27)(H,23,24)(H,25,26)