4-[4-[methyl-[(3-pyridin-4-ylphenyl)methyl]carbamoyl]oxyphenyl]benzoic acid

Systemtic Name: 4-[4-[methyl-[(3-pyridin-4-ylphenyl)methyl]carbamoyl]oxyphenyl]benzoic acid Openeye Name: 4-[4-[methyl-[[3-(4-pyridyl)phenyl]methyl]carbamoyl]oxyphenyl]benzoic acid CAS Name: 4-[4-[[methyl-[(3-pyridin-4-ylphenyl)methyl]amino]-oxomethoxy]phenyl]benzoic acid IUPAC Name: 4-[4-[methyl-[(3-pyridin-4-ylphenyl)methyl]carbamoyl]oxyphenyl]benzoic acid Traditional Name: 4-[4-[methyl-[3-(4-pyridyl)benzyl]carbamoyl]oxyphenyl]benzoic acid Formula: C27H22N2O4 MolecularWeight: 438.47458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC(=C1)C2=CC=NC=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN(CC1=CC=CC(=C1)C2=CC=NC=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H22N2O4/c1-29(18-19-3-2-4-24(17-19)22-13-15-28-16-14-22)27(32)33-25-11-9-21(10-12-25)20-5-7-23(8-6-20)26(30)31/h2-17H,18H2,1H3,(H,30,31)