2-ethynyl-2-(methoxycarbonylamino)-4-methylidene-6-[(phenylmethyl)amino]heptanedioic acid

Systemtic Name: 2-ethynyl-2-(methoxycarbonylamino)-4-methylidene-6-[(phenylmethyl)amino]heptanedioic acid Openeye Name: 6-(benzylamino)-2-ethynyl-2-(methoxycarbonylamino)-4-methylene-heptanedioic acid CAS Name: 2-ethynyl-2-(methoxycarbonylamino)-4-methylene-6-[(phenylmethyl)amino]heptanedioic acid IUPAC Name: 6-(benzylamino)-2-ethynyl-2-(methoxycarbonylamino)-4-methylideneheptanedioic acid Traditional Name: 6-(benzylamino)-2-(carbomethoxyamino)-2-ethynyl-4-methylene-pimelic acid Formula: C19H22N2O6 MolecularWeight: 374.38778

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(CC(=C)CC(C(=O)O)NCC1=CC=CC=C1)(C#C)C(=O)O

Isomeric SMILES

COC(=O)NC(CC(=C)CC(C(=O)O)NCC1=CC=CC=C1)(C#C)C(=O)O

InChI

InChI=1S/C19H22N2O6/c1-4-19(17(24)25,21-18(26)27-3)11-13(2)10-15(16(22)23)20-12-14-8-6-5-7-9-14/h1,5-9,15,20H,2,10-12H2,3H3,(H,21,26)(H,22,23)(H,24,25)