methyl (2S)-2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H25N3O4/c1-29-22(27)19(15-16-7-3-2-4-8-16)25-23(28)26-13-11-17(12-14-26)21-24-18-9-5-6-10-20(18)30-21/h2-10,17,19H,11-15H2,1H3,(H,25,28)/t19-/m0/s1