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

Systemtic Name: ethyl N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamate; methyl 2-methylbenzoate Openeye Name: ethyl N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamate; methyl 2-methylbenzoate CAS Name: 2-methylbenzoic 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 2-methylbenzoate Traditional Name: 2-methylbenzoic acid methyl ester; N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamic acid ethyl ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NCCCCN1CCC(=CC1)C2=CC=CC=C2.CC1=CC=CC=C1C(=O)OC

Isomeric SMILES

CCOC(=O)NCCCCN1CCC(=CC1)C2=CC=CC=C2.CC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C18H26N2O2.C9H10O2/c1-2-22-18(21)19-12-6-7-13-20-14-10-17(11-15-20)16-8-4-3-5-9-16;1-7-5-3-4-6-8(7)9(10)11-2/h3-5,8-10H,2,6-7,11-15H2,1H3,(H,19,21);3-6H,1-2H3