methyl (2S)-3-methyl-2-[[1-[4-(2-phenoxyethanoylamino)phenyl]piperidin-4-yl]amino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[1-[4-(2-phenoxyethanoylamino)phenyl]piperidin-4-yl]amino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[1-[4-[(2-phenoxyacetyl)amino]phenyl]-4-piperidyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[1-[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]-4-piperidinyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[1-[4-[(2-phenoxyacetyl)amino]phenyl]piperidin-4-yl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[1-[4-[(2-phenoxyacetyl)amino]phenyl]-4-piperidyl]amino]butyric acid methyl ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O4/c1-18(2)24(25(30)31-3)27-20-13-15-28(16-14-20)21-11-9-19(10-12-21)26-23(29)17-32-22-7-5-4-6-8-22/h4-12,18,20,24,27H,13-17H2,1-3H3,(H,26,29)/t24-/m0/s1