2-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamoylamino]butanedioic acid

Systemtic Name: 2-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamoylamino]butanedioic acid Openeye Name: 2-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamoylamino]butanedioic acid CAS Name: 2-[[[[4-(1,3-benzoxazol-2-yl)phenyl]methylamino]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamoylamino]butanedioic acid Traditional Name: 2-[[4-(1,3-benzoxazol-2-yl)benzyl]carbamoylamino]succinic acid Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)CNC(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)CNC(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C19H17N3O6/c23-16(24)9-14(18(25)26)22-19(27)20-10-11-5-7-12(8-6-11)17-21-13-3-1-2-4-15(13)28-17/h1-8,14H,9-10H2,(H,23,24)(H,25,26)(H2,20,22,27)