4-chloranylbenzoic acid; ethyl N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamate

Systemtic Name: 4-chloranylbenzoic acid; ethyl N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamate Openeye Name: 4-chlorobenzoic acid; ethyl N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamate CAS Name: 4-chlorobenzoic acid; N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamic acid ethyl ester IUPAC Name: 4-chlorobenzoic acid; ethyl N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamate Traditional Name: 4-chlorobenzoic acid; N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamic acid ethyl ester Formula: C25H31ClN2O4 MolecularWeight: 458.97764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NCCCCN1CCC(=CC1)C2=CC=CC=C2.C1=CC(=CC=C1C(=O)O)Cl

Isomeric SMILES

CCOC(=O)NCCCCN1CCC(=CC1)C2=CC=CC=C2.C1=CC(=CC=C1C(=O)O)Cl

InChI

InChI=1S/C18H26N2O2.C7H5ClO2/c1-2-22-18(21)19-12-6-7-13-20-14-10-17(11-15-20)16-8-4-3-5-9-16;8-6-3-1-5(2-4-6)7(9)10/h3-5,8-10H,2,6-7,11-15H2,1H3,(H,19,21);1-4H,(H,9,10)