5-ethoxy-2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]benzoic acid

Systemtic Name: 5-ethoxy-2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]benzoic acid Openeye Name: 5-ethoxy-2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]benzoic acid CAS Name: 5-ethoxy-2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]benzoic acid IUPAC Name: 5-ethoxy-2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]benzoic acid Traditional Name: 2-[carbethoxy-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-5-ethoxy-benzoic acid Formula: C27H34N2O5 MolecularWeight: 466.56926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N(CCCCN2CCC(=CC2)C3=CC=CC=C3)C(=O)OCC)C(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1)N(CCCCN2CCC(=CC2)C3=CC=CC=C3)C(=O)OCC)C(=O)O

InChI

InChI=1S/C27H34N2O5/c1-3-33-23-12-13-25(24(20-23)26(30)31)29(27(32)34-4-2)17-9-8-16-28-18-14-22(15-19-28)21-10-6-5-7-11-21/h5-7,10-14,20H,3-4,8-9,15-19H2,1-2H3,(H,30,31)