methyl 2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-6-fluoranyl-benzoate

Systemtic Name: methyl 2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-6-fluoranyl-benzoate Openeye Name: methyl 2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-6-fluoro-benzoate CAS Name: 2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-6-fluorobenzoic acid methyl ester IUPAC Name: methyl 2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-6-fluorobenzoate Traditional Name: 2-[carbethoxy-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-6-fluoro-benzoic acid methyl ester Formula: C26H31FN2O4 MolecularWeight: 454.533743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31FN2O4/c1-3-33-26(31)29(23-13-9-12-22(27)24(23)25(30)32-2)17-8-7-16-28-18-14-21(15-19-28)20-10-5-4-6-11-20/h4-6,9-14H,3,7-8,15-19H2,1-2H3