methyl (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-3-phenyl-propionic acid methyl ester Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C24H21N3O4/c1-30-23(28)20(14-16-8-3-2-4-9-16)27-24(29)25-18-11-7-10-17(15-18)22-26-19-12-5-6-13-21(19)31-22/h2-13,15,20H,14H2,1H3,(H2,25,27,29)/t20-/m0/s1