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

Systemtic Name: 3-ethoxybenzoic acid; ethyl N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamate Openeye Name: 3-ethoxybenzoic acid; ethyl N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamate CAS Name: 3-ethoxybenzoic acid; N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamic acid ethyl ester IUPAC Name: 3-ethoxybenzoic acid; ethyl N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamate Traditional Name: 3-ethoxybenzoic acid; N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamic acid ethyl ester Formula: C27H36N2O5 MolecularWeight: 468.58514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)O.CCOC(=O)NCCCCN1CCC(=CC1)C2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)O.CCOC(=O)NCCCCN1CCC(=CC1)C2=CC=CC=C2

InChI

InChI=1S/C18H26N2O2.C9H10O3/c1-2-22-18(21)19-12-6-7-13-20-14-10-17(11-15-20)16-8-4-3-5-9-16;1-2-12-8-5-3-4-7(6-8)9(10)11/h3-5,8-10H,2,6-7,11-15H2,1H3,(H,19,21);3-6H,2H2,1H3,(H,10,11)