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

Systemtic Name: 2-azanyl-2-ethynyl-4-methylidene-6-[(phenylmethyl)amino]heptanedioic acid Openeye Name: 2-amino-6-(benzylamino)-2-ethynyl-4-methylene-heptanedioic acid CAS Name: 2-amino-2-ethynyl-4-methylene-6-[(phenylmethyl)amino]heptanedioic acid IUPAC Name: 2-amino-6-(benzylamino)-2-ethynyl-4-methylideneheptanedioic acid Traditional Name: 2-amino-6-(benzylamino)-2-ethynyl-4-methylene-pimelic acid Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CC(C(=O)O)NCC1=CC=CC=C1)CC(C#C)(C(=O)O)N

Isomeric SMILES

C=C(CC(C(=O)O)NCC1=CC=CC=C1)CC(C#C)(C(=O)O)N

InChI

InChI=1S/C17H20N2O4/c1-3-17(18,16(22)23)10-12(2)9-14(15(20)21)19-11-13-7-5-4-6-8-13/h1,4-8,14,19H,2,9-11,18H2,(H,20,21)(H,22,23)