2-(phenylmethoxycarbonylamino)-4-prop-2-enyl-pentanedioic acid

Systemtic Name: 2-(phenylmethoxycarbonylamino)-4-prop-2-enyl-pentanedioic acid Openeye Name: 2-allyl-4-(benzyloxycarbonylamino)pentanedioic acid CAS Name: 2-(phenylmethoxycarbonylamino)-4-prop-2-enylpentanedioic acid IUPAC Name: 2-(phenylmethoxycarbonylamino)-4-prop-2-enylpentanedioic acid Traditional Name: 2-allyl-4-(benzyloxycarbonylamino)glutaric acid Formula: C16H19NO6 MolecularWeight: 321.32516

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC(C(=O)O)NC(=O)OCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

C=CCC(CC(C(=O)O)NC(=O)OCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C16H19NO6/c1-2-6-12(14(18)19)9-13(15(20)21)17-16(22)23-10-11-7-4-3-5-8-11/h2-5,7-8,12-13H,1,6,9-10H2,(H,17,22)(H,18,19)(H,20,21)