3-azanyl-4-[(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)carbonyl]-2-methoxy-benzoic acid

Systemtic Name: 3-azanyl-4-[(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)carbonyl]-2-methoxy-benzoic acid Openeye Name: 3-amino-4-(5,5-dimethyl-8-phenyl-6H-naphthalene-2-carbonyl)-2-methoxy-benzoic acid CAS Name: 3-amino-4-[(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)-oxomethyl]-2-methoxybenzoic acid IUPAC Name: 3-amino-4-(5,5-dimethyl-8-phenyl-6H-naphthalene-2-carbonyl)-2-methoxybenzoic acid Traditional Name: 3-amino-4-(5,5-dimethyl-8-phenyl-6H-naphthalene-2-carbonyl)-2-methoxy-benzoic acid Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C(=O)C3=C(C(=C(C=C3)C(=O)O)OC)N)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)C(=O)C3=C(C(=C(C=C3)C(=O)O)OC)N)C4=CC=CC=C4)C

InChI

InChI=1S/C27H25NO4/c1-27(2)14-13-18(16-7-5-4-6-8-16)21-15-17(9-12-22(21)27)24(29)19-10-11-20(26(30)31)25(32-3)23(19)28/h4-13,15H,14,28H2,1-3H3,(H,30,31)