3-(1,4-benzodiazepin-4-yl)propanoic acid

Systemtic Name: 3-(1,4-benzodiazepin-4-yl)propanoic acid Openeye Name: 3-(1,4-benzodiazepin-4-yl)propanoic acid CAS Name: 3-(1,4-benzodiazepin-4-yl)propanoic acid IUPAC Name: 3-(1,4-benzodiazepin-4-yl)propanoic acid Traditional Name: 3-(1,4-benzodiazepin-4-yl)propionic acid Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CN(C=CN=C2C=C1)CCC(=O)O

Isomeric SMILES

C1=CC2=CN(C=CN=C2C=C1)CCC(=O)O

InChI

InChI=1S/C12H12N2O2/c15-12(16)5-7-14-8-6-13-11-4-2-1-3-10(11)9-14/h1-4,6,8-9H,5,7H2,(H,15,16)