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

Systemtic Name: 4-chloranyl-2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]benzoic acid Openeye Name: 4-chloro-2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]benzoic acid CAS Name: 4-chloro-2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]benzoic acid IUPAC Name: 4-chloro-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]-4-chloro-benzoic acid Formula: C25H29ClN2O4 MolecularWeight: 456.96176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(CCCCN1CCC(=CC1)C2=CC=CC=C2)C3=C(C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

CCOC(=O)N(CCCCN1CCC(=CC1)C2=CC=CC=C2)C3=C(C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C25H29ClN2O4/c1-2-32-25(31)28(23-18-21(26)10-11-22(23)24(29)30)15-7-6-14-27-16-12-20(13-17-27)19-8-4-3-5-9-19/h3-5,8-12,18H,2,6-7,13-17H2,1H3,(H,29,30)