methyl (2S)-2-[[1-[4-(cyclopentylcarbonylamino)phenyl]piperidin-4-yl]amino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[[1-[4-(cyclopentylcarbonylamino)phenyl]piperidin-4-yl]amino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[1-[4-(cyclopentanecarbonylamino)phenyl]-4-piperidyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[1-[4-[[cyclopentyl(oxo)methyl]amino]phenyl]-4-piperidinyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-[4-(cyclopentanecarbonylamino)phenyl]piperidin-4-yl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[1-[4-(cyclopentanecarbonylamino)phenyl]-4-piperidyl]amino]-2-phenyl-acetic acid methyl ester Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4CCCC4

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)NC2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4CCCC4

InChI

InChI=1S/C26H33N3O3/c1-32-26(31)24(19-7-3-2-4-8-19)27-22-15-17-29(18-16-22)23-13-11-21(12-14-23)28-25(30)20-9-5-6-10-20/h2-4,7-8,11-14,20,22,24,27H,5-6,9-10,15-18H2,1H3,(H,28,30)/t24-/m0/s1