2-[[4-[3-[(2-oxidanylideneheptylamino)methyl]phenyl]phenyl]amino]benzoic acid

Systemtic Name: 2-[[4-[3-[(2-oxidanylideneheptylamino)methyl]phenyl]phenyl]amino]benzoic acid Openeye Name: 2-[4-[3-[(2-oxoheptylamino)methyl]phenyl]anilino]benzoic acid CAS Name: 2-[4-[3-[(2-oxoheptylamino)methyl]phenyl]anilino]benzoic acid IUPAC Name: 2-[4-[3-[(2-oxoheptylamino)methyl]phenyl]anilino]benzoic acid Traditional Name: 2-[4-[3-[(2-ketoheptylamino)methyl]phenyl]anilino]benzoic acid Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CNCC1=CC=CC(=C1)C2=CC=C(C=C2)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCCC(=O)CNCC1=CC=CC(=C1)C2=CC=C(C=C2)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C27H30N2O3/c1-2-3-4-10-24(30)19-28-18-20-8-7-9-22(17-20)21-13-15-23(16-14-21)29-26-12-6-5-11-25(26)27(31)32/h5-9,11-17,28-29H,2-4,10,18-19H2,1H3,(H,31,32)