4-[(1-decyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(1-decyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)carbonylamino]benzoic acid Openeye Name: 4-[(1-decyl-4,4-dimethyl-2,3-dihydroquinoline-7-carbonyl)amino]benzoic acid CAS Name: 4-[[(1-decyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(1-decyl-4,4-dimethyl-2,3-dihydroquinoline-7-carbonyl)amino]benzoic acid Traditional Name: 4-[(1-decyl-4,4-dimethyl-2,3-dihydroquinoline-7-carbonyl)amino]benzoic acid Formula: C29H40N2O3 MolecularWeight: 464.6395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1CCC(C2=C1C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)(C)C

Isomeric SMILES

CCCCCCCCCCN1CCC(C2=C1C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)(C)C

InChI

InChI=1S/C29H40N2O3/c1-4-5-6-7-8-9-10-11-19-31-20-18-29(2,3)25-17-14-23(21-26(25)31)27(32)30-24-15-12-22(13-16-24)28(33)34/h12-17,21H,4-11,18-20H2,1-3H3,(H,30,32)(H,33,34)