4-[methyl(octadecyl)amino]-3-[(4-oxidanylnaphthalen-2-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[methyl(octadecyl)amino]-3-[(4-oxidanylnaphthalen-2-yl)carbonylamino]benzoic acid Openeye Name: 3-[(4-hydroxynaphthalene-2-carbonyl)amino]-4-[methyl(octadecyl)amino]benzoic acid CAS Name: 3-[[(4-hydroxy-2-naphthalenyl)-oxomethyl]amino]-4-[methyl(octadecyl)amino]benzoic acid IUPAC Name: 3-[(4-hydroxynaphthalene-2-carbonyl)amino]-4-[methyl(octadecyl)amino]benzoic acid Traditional Name: 3-[(4-hydroxy-2-naphthoyl)amino]-4-[methyl(stearyl)amino]benzoic acid Formula: C37H52N2O4 MolecularWeight: 588.81978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC3=CC=CC=C3C(=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC3=CC=CC=C3C(=C2)O

InChI

InChI=1S/C37H52N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-39(2)34-24-23-30(37(42)43)27-33(34)38-36(41)31-26-29-21-18-19-22-32(29)35(40)28-31/h18-19,21-24,26-28,40H,3-17,20,25H2,1-2H3,(H,38,41)(H,42,43)