ethyl 3-chloranyl-2-[[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butylamino]carbamoyl]benzoate

Systemtic Name: ethyl 3-chloranyl-2-[[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butylamino]carbamoyl]benzoate Openeye Name: ethyl 3-chloro-2-[[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butylamino]carbamoyl]benzoate CAS Name: 3-chloro-2-[oxo-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butylhydrazo]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-2-[[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butylamino]carbamoyl]benzoate Traditional Name: 3-chloro-2-[[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butylamino]carbamoyl]benzoic acid ethyl ester Formula: C25H30ClN3O3 MolecularWeight: 455.977

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)Cl)C(=O)NNCCCCN2CCC(=CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)Cl)C(=O)NNCCCCN2CCC(=CC2)C3=CC=CC=C3

InChI

InChI=1S/C25H30ClN3O3/c1-2-32-25(31)21-11-8-12-22(26)23(21)24(30)28-27-15-6-7-16-29-17-13-20(14-18-29)19-9-4-3-5-10-19/h3-5,8-13,27H,2,6-7,14-18H2,1H3,(H,28,30)