2-azanyl-5-ethoxycarbonyl-4,6-diphenyl-3-pyridin-3-yl-benzoic acid

Systemtic Name: 2-azanyl-5-ethoxycarbonyl-4,6-diphenyl-3-pyridin-3-yl-benzoic acid Openeye Name: 2-amino-5-ethoxycarbonyl-4,6-diphenyl-3-(3-pyridyl)benzoic acid CAS Name: 2-amino-5-ethoxycarbonyl-4,6-diphenyl-3-(3-pyridinyl)benzoic acid IUPAC Name: 2-amino-5-ethoxycarbonyl-4,6-diphenyl-3-pyridin-3-ylbenzoic acid Traditional Name: 2-amino-5-carbethoxy-4,6-diphenyl-3-(3-pyridyl)benzoic acid Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C(=C1C2=CC=CC=C2)C3=CN=CC=C3)N)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C(=C1C2=CC=CC=C2)C3=CN=CC=C3)N)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H22N2O4/c1-2-33-27(32)23-20(17-10-5-3-6-11-17)22(19-14-9-15-29-16-19)25(28)24(26(30)31)21(23)18-12-7-4-8-13-18/h3-16H,2,28H2,1H3,(H,30,31)