2-(2-hydroxyethyl)-4-[1-(methylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]piperazine-1-carboxylic acid

Systemtic Name: 2-(2-hydroxyethyl)-4-[1-(methylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]piperazine-1-carboxylic acid Openeye Name: 2-(2-hydroxyethyl)-4-[2-(methylamino)-1-(2-naphthylmethyl)-2-oxo-ethyl]piperazine-1-carboxylic acid CAS Name: 2-(2-hydroxyethyl)-4-[1-(methylamino)-3-(2-naphthalenyl)-1-oxopropan-2-yl]-1-piperazinecarboxylic acid IUPAC Name: 2-(2-hydroxyethyl)-4-[1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]piperazine-1-carboxylic acid Traditional Name: 2-(2-hydroxyethyl)-4-[2-keto-2-(methylamino)-1-(2-naphthylmethyl)ethyl]piperazine-1-carboxylic acid Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC2=CC=CC=C2C=C1)N3CCN(C(C3)CCO)C(=O)O

Isomeric SMILES

CNC(=O)C(CC1=CC2=CC=CC=C2C=C1)N3CCN(C(C3)CCO)C(=O)O

InChI

InChI=1S/C21H27N3O4/c1-22-20(26)19(13-15-6-7-16-4-2-3-5-17(16)12-15)23-9-10-24(21(27)28)18(14-23)8-11-25/h2-7,12,18-19,25H,8-11,13-14H2,1H3,(H,22,26)(H,27,28)