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

Systemtic Name: ethyl N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamate; methyl 3-chloranylbenzoate Openeye Name: ethyl N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamate; methyl 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid methyl ester; N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamate; methyl 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid methyl ester; N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamic acid ethyl ester Formula: C26H33ClN2O4 MolecularWeight: 473.00422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O2.C8H7ClO2/c1-2-22-18(21)19-12-6-7-13-20-14-10-17(11-15-20)16-8-4-3-5-9-16;1-11-8(10)6-3-2-4-7(9)5-6/h3-5,8-10H,2,6-7,11-15H2,1H3,(H,19,21);2-5H,1H3