2-[3-(cyclopropylmethyl)-2-oxidanylidene-piperazin-1-yl]-3-naphthalen-2-yl-propanoic acid

Systemtic Name: 2-[3-(cyclopropylmethyl)-2-oxidanylidene-piperazin-1-yl]-3-naphthalen-2-yl-propanoic acid Openeye Name: 2-[3-(cyclopropylmethyl)-2-oxo-piperazin-1-yl]-3-(2-naphthyl)propanoic acid CAS Name: 2-[3-(cyclopropylmethyl)-2-oxo-1-piperazinyl]-3-(2-naphthalenyl)propanoic acid IUPAC Name: 2-[3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoic acid Traditional Name: 2-[3-(cyclopropylmethyl)-2-keto-piperazino]-3-(2-naphthyl)propionic acid Formula: C21H24N2O3 MolecularWeight: 352.42686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC2C(=O)N(CCN2)C(CC3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C1CC1CC2C(=O)N(CCN2)C(CC3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C21H24N2O3/c24-20-18(12-14-5-6-14)22-9-10-23(20)19(21(25)26)13-15-7-8-16-3-1-2-4-17(16)11-15/h1-4,7-8,11,14,18-19,22H,5-6,9-10,12-13H2,(H,25,26)