2-azanyl-3-[[7-chloranyl-4-(2-ethylphenyl)-1H-indol-2-yl]carbonylamino]propanoic acid

Systemtic Name: 2-azanyl-3-[[7-chloranyl-4-(2-ethylphenyl)-1H-indol-2-yl]carbonylamino]propanoic acid Openeye Name: 2-amino-3-[[7-chloro-4-(2-ethylphenyl)-1H-indole-2-carbonyl]amino]propanoic acid CAS Name: 2-amino-3-[[[7-chloro-4-(2-ethylphenyl)-1H-indol-2-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-amino-3-[[7-chloro-4-(2-ethylphenyl)-1H-indole-2-carbonyl]amino]propanoic acid Traditional Name: 2-amino-3-[[7-chloro-4-(2-ethylphenyl)-1H-indole-2-carbonyl]amino]propionic acid Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=C3C=C(NC3=C(C=C2)Cl)C(=O)NCC(C(=O)O)N

Isomeric SMILES

CCC1=CC=CC=C1C2=C3C=C(NC3=C(C=C2)Cl)C(=O)NCC(C(=O)O)N

InChI

InChI=1S/C20H20ClN3O3/c1-2-11-5-3-4-6-12(11)13-7-8-15(21)18-14(13)9-17(24-18)19(25)23-10-16(22)20(26)27/h3-9,16,24H,2,10,22H2,1H3,(H,23,25)(H,26,27)