methyl (2S)-2-[(2-butyl-1,3-benzoxazol-5-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(2-butyl-1,3-benzoxazol-5-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(2-butyl-1,3-benzoxazole-5-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2-butyl-1,3-benzoxazol-5-yl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-butyl-1,3-benzoxazole-5-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2-butyl-1,3-benzoxazole-5-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H24N2O4/c1-3-4-10-20-23-17-14-16(11-12-19(17)28-20)21(25)24-18(22(26)27-2)13-15-8-6-5-7-9-15/h5-9,11-12,14,18H,3-4,10,13H2,1-2H3,(H,24,25)/t18-/m0/s1