methyl 2-[[2-(1-azanylbutyl)-1,3-oxazol-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[2-(1-azanylbutyl)-1,3-oxazol-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-(1-aminobutyl)oxazole-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[2-(1-aminobutyl)-4-oxazolyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-aminobutyl)-1,3-oxazole-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(1-aminobutyl)oxazole-4-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC(=CO1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)N

Isomeric SMILES

CCCC(C1=NC(=CO1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)N

InChI

InChI=1S/C18H23N3O4/c1-3-7-13(19)17-21-15(11-25-17)16(22)20-14(18(23)24-2)10-12-8-5-4-6-9-12/h4-6,8-9,11,13-14H,3,7,10,19H2,1-2H3,(H,20,22)