2-acetamido-5-[(3-cyclopentyloxy-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]benzoic acid

Systemtic Name: 2-acetamido-5-[(3-cyclopentyloxy-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 2-acetamido-5-[3-(cyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 2-acetamido-5-[3-cyclopentyloxy-4-methoxy-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 2-acetamido-5-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 2-acetamido-5-[3-(cyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC(=C(C=C3)OC)OC4CCCC4)C(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC(=C(C=C3)OC)OC4CCCC4)C(=O)O

InChI

InChI=1S/C27H29N3O5/c1-18(31)29-24-11-9-20(14-23(24)27(32)33)30(17-19-6-5-13-28-16-19)21-10-12-25(34-2)26(15-21)35-22-7-3-4-8-22/h5-6,9-16,22H,3-4,7-8,17H2,1-2H3,(H,29,31)(H,32,33)