calcium 2-[phenyl(phenylazanyl)carbamoyl]hexanoic acid

Systemtic Name: calcium 2-[phenyl(phenylazanyl)carbamoyl]hexanoic acid Openeye Name: calcium 2-[anilino(phenyl)carbamoyl]hexanoic acid CAS Name: calcium 2-[(N-anilinoanilino)-oxomethyl]hexanoic acid IUPAC Name: calcium 2-[anilino(phenyl)carbamoyl]hexanoic acid Traditional Name: calcium 2-[anilino(phenyl)carbamoyl]hexanoic acid Formula: C19H22CaN2O3+2 MolecularWeight: 366.46758

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Descriptors Computed from Structure

Canonical SMILES:

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.[Ca+2]

InChI

InChI=1S/C19H22N2O3.Ca/c1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15;/h4-13,17,20H,2-3,14H2,1H3,(H,23,24);/q;+2