2-[(1-methylcyclohex-3-en-1-yl)carbonylamino]butanedioic acid

Systemtic Name: 2-[(1-methylcyclohex-3-en-1-yl)carbonylamino]butanedioic acid Openeye Name: 2-[(1-methylcyclohex-3-ene-1-carbonyl)amino]butanedioic acid CAS Name: 2-[[(1-methyl-1-cyclohex-3-enyl)-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[(1-methylcyclohex-3-ene-1-carbonyl)amino]butanedioic acid Traditional Name: 2-[(1-methylcyclohex-3-ene-1-carbonyl)amino]succinic acid Formula: C12H17NO5 MolecularWeight: 255.26708

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC=CC1)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CC1(CCC=CC1)C(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C12H17NO5/c1-12(5-3-2-4-6-12)11(18)13-8(10(16)17)7-9(14)15/h2-3,8H,4-7H2,1H3,(H,13,18)(H,14,15)(H,16,17)