2-azanyl-2-[(5-chloranyl-1H-indol-2-yl)carbonyl]-3-phenyl-1-propanoyl-azetidine-3-carboxylic acid

Systemtic Name: 2-azanyl-2-[(5-chloranyl-1H-indol-2-yl)carbonyl]-3-phenyl-1-propanoyl-azetidine-3-carboxylic acid Openeye Name: 2-amino-2-(5-chloro-1H-indole-2-carbonyl)-3-phenyl-1-propanoyl-azetidine-3-carboxylic acid CAS Name: 2-amino-2-[(5-chloro-1H-indol-2-yl)-oxomethyl]-1-(1-oxopropyl)-3-phenyl-3-azetidinecarboxylic acid IUPAC Name: 2-amino-2-(5-chloro-1H-indole-2-carbonyl)-3-phenyl-1-propanoylazetidine-3-carboxylic acid Traditional Name: 2-amino-2-(5-chloro-1H-indole-2-carbonyl)-3-phenyl-1-propionyl-azetidine-3-carboxylic acid Formula: C22H20ClN3O4 MolecularWeight: 425.8649

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CC(C1(C(=O)C2=CC3=C(N2)C=CC(=C3)Cl)N)(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCC(=O)N1CC(C1(C(=O)C2=CC3=C(N2)C=CC(=C3)Cl)N)(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H20ClN3O4/c1-2-18(27)26-12-21(20(29)30,14-6-4-3-5-7-14)22(26,24)19(28)17-11-13-10-15(23)8-9-16(13)25-17/h3-11,25H,2,12,24H2,1H3,(H,29,30)