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

Systemtic Name: 5-[(3-cyclopentyloxy-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]-2-ethyl-benzoic acid Openeye Name: 5-[3-(cyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]-2-ethyl-benzoic acid CAS Name: 5-[3-cyclopentyloxy-4-methoxy-N-(3-pyridinylmethyl)anilino]-2-ethylbenzoic acid IUPAC Name: 5-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]-2-ethylbenzoic acid Traditional Name: 5-[3-(cyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]-2-ethyl-benzoic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC(=C(C=C3)OC)OC4CCCC4)C(=O)O

Isomeric SMILES

CCC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC(=C(C=C3)OC)OC4CCCC4)C(=O)O

InChI

InChI=1S/C27H30N2O4/c1-3-20-10-11-21(15-24(20)27(30)31)29(18-19-7-6-14-28-17-19)22-12-13-25(32-2)26(16-22)33-23-8-4-5-9-23/h6-7,10-17,23H,3-5,8-9,18H2,1-2H3,(H,30,31)