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

Systemtic Name: propan-2-yl (3S)-3-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbonylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: isopropyl (3S)-3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-3-(4-methoxyphenyl)propanoate CAS Name: (3S)-3-[[[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-3-(4-methoxyphenyl)propanoate Traditional Name: (3S)-3-[[1-(1,3-benzoxazol-2-yl)isonipecotoyl]amino]-3-(4-methoxyphenyl)propionic acid isopropyl ester Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)OC(=O)C[C@@H](C1=CC=C(C=C1)OC)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C26H31N3O5/c1-17(2)33-24(30)16-22(18-8-10-20(32-3)11-9-18)27-25(31)19-12-14-29(15-13-19)26-28-21-6-4-5-7-23(21)34-26/h4-11,17,19,22H,12-16H2,1-3H3,(H,27,31)/t22-/m0/s1