ethyl 2-ethoxy-4-methyl-benzoate; N-[1-phenyl-2-(2-piperidin-1-yloxan-2-yl)ethyl]methanamide

Systemtic Name: ethyl 2-ethoxy-4-methyl-benzoate; N-[1-phenyl-2-(2-piperidin-1-yloxan-2-yl)ethyl]methanamide Openeye Name: ethyl 2-ethoxy-4-methyl-benzoate; N-[1-phenyl-2-[2-(1-piperidyl)tetrahydropyran-2-yl]ethyl]formamide CAS Name: 2-ethoxy-4-methylbenzoic acid ethyl ester; N-[1-phenyl-2-[2-(1-piperidinyl)-2-oxanyl]ethyl]formamide IUPAC Name: ethyl 2-ethoxy-4-methylbenzoate; N-[1-phenyl-2-(2-piperidin-1-yloxan-2-yl)ethyl]formamide Traditional Name: 2-ethoxy-4-methyl-benzoic acid ethyl ester; N-[1-phenyl-2-(2-piperidinotetrahydropyran-2-yl)ethyl]formamide Formula: C31H44N2O5 MolecularWeight: 524.69146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C)C(=O)OCC.C1CCN(CC1)C2(CCCCO2)CC(C3=CC=CC=C3)NC=O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C)C(=O)OCC.C1CCN(CC1)C2(CCCCO2)CC(C3=CC=CC=C3)NC=O

InChI

InChI=1S/C19H28N2O2.C12H16O3/c22-16-20-18(17-9-3-1-4-10-17)15-19(11-5-8-14-23-19)21-12-6-2-7-13-21;1-4-14-11-8-9(3)6-7-10(11)12(13)15-5-2/h1,3-4,9-10,16,18H,2,5-8,11-15H2,(H,20,22);6-8H,4-5H2,1-3H3