(3S,5S)-3-azanyl-5-(4-methylphenyl)cyclopentene-1,3-dicarboxylic acid hydrochloride

Systemtic Name: (3S,5S)-3-azanyl-5-(4-methylphenyl)cyclopentene-1,3-dicarboxylic acid hydrochloride Openeye Name: (3S,5S)-3-amino-5-(p-tolyl)cyclopentene-1,3-dicarboxylic acid hydrochloride CAS Name: (3S,5S)-3-amino-5-(4-methylphenyl)cyclopentene-1,3-dicarboxylic acid hydrochloride IUPAC Name: (3S,5S)-3-amino-5-(4-methylphenyl)cyclopentene-1,3-dicarboxylic acid hydrochloride Traditional Name: (3S,5S)-3-amino-5-(p-tolyl)cyclopentene-1,3-dicarboxylic acid hydrochloride Formula: C14H16ClNO4 MolecularWeight: 297.73414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(C=C2C(=O)O)(C(=O)O)N.Cl

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2C[C@](C=C2C(=O)O)(C(=O)O)N.Cl

InChI

InChI=1S/C14H15NO4.ClH/c1-8-2-4-9(5-3-8)10-6-14(15,13(18)19)7-11(10)12(16)17;/h2-5,7,10H,6,15H2,1H3,(H,16,17)(H,18,19);1H/t10-,14-;/m0./s1