ethyl 4-[[(4R)-1-[(4-methoxyphenyl)methyl]-7-oxidanylidene-azepan-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[(4R)-1-[(4-methoxyphenyl)methyl]-7-oxidanylidene-azepan-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[(4R)-1-[(4-methoxyphenyl)methyl]-7-oxo-azepan-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[(4R)-1-[(4-methoxyphenyl)methyl]-7-oxo-4-azepanyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(4R)-1-[(4-methoxyphenyl)methyl]-7-oxoazepan-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[(4R)-7-keto-1-p-anisyl-azepan-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2CCC(=O)N(CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N[C@@H]2CCC(=O)N(CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H33N3O4/c1-3-29-22(27)24-13-10-19(11-14-24)23-18-6-9-21(26)25(15-12-18)16-17-4-7-20(28-2)8-5-17/h4-5,7-8,18-19,23H,3,6,9-16H2,1-2H3/t18-/m1/s1