calcium 2-[phenyl(phenylazanyl)carbamoyl]hexanoate

Systemtic Name: calcium 2-[phenyl(phenylazanyl)carbamoyl]hexanoate Openeye Name: calcium 2-[anilino(phenyl)carbamoyl]hexanoate CAS Name: calcium 2-[(N-anilinoanilino)-oxomethyl]hexanoate IUPAC Name: calcium 2-[anilino(phenyl)carbamoyl]hexanoate Traditional Name: calcium 2-[anilino(phenyl)carbamoyl]hexanoate Formula: C38H42CaN4O6 MolecularWeight: 690.84128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2)C(=O)[O-].CCCCC(C(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2)C(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCC(C(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2)C(=O)[O-].CCCCC(C(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C19H22N2O3.Ca/c2*1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15;/h2*4-13,17,20H,2-3,14H2,1H3,(H,23,24);/q;;+2/p-2