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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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