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

Systemtic Name: ethyl N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamate; 2-nitrobenzoic acid Openeye Name: ethyl N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamate; 2-nitrobenzoic acid CAS Name: 2-nitrobenzoic acid; 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; 2-nitrobenzoic acid Traditional Name: 2-nitrobenzoic acid; N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamic acid ethyl ester Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NCCCCN1CCC(=CC1)C2=CC=CC=C2.C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)NCCCCN1CCC(=CC1)C2=CC=CC=C2.C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H26N2O2.C7H5NO4/c1-2-22-18(21)19-12-6-7-13-20-14-10-17(11-15-20)16-8-4-3-5-9-16;9-7(10)5-3-1-2-4-6(5)8(11)12/h3-5,8-10H,2,6-7,11-15H2,1H3,(H,19,21);1-4H,(H,9,10)