4-[2-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-3-phenyl-propanoyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-3-phenyl-propanoyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenyl-propanoyl]piperazine-1-carboxylic acid CAS Name: 4-[2-[[(5-chloro-1H-indol-2-yl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenyl-propanoyl]piperazine-1-carboxylic acid Formula: C23H23ClN4O4 MolecularWeight: 454.90612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)C(=O)O

InChI

InChI=1S/C23H23ClN4O4/c24-17-6-7-18-16(13-17)14-19(25-18)21(29)26-20(12-15-4-2-1-3-5-15)22(30)27-8-10-28(11-9-27)23(31)32/h1-7,13-14,20,25H,8-12H2,(H,26,29)(H,31,32)