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

Systemtic Name: 2-azanyl-3-[[4-(2-ethylphenyl)-1-methyl-indol-2-yl]carbonylamino]propanoic acid Openeye Name: 2-amino-3-[[4-(2-ethylphenyl)-1-methyl-indole-2-carbonyl]amino]propanoic acid CAS Name: 2-amino-3-[[[4-(2-ethylphenyl)-1-methyl-2-indolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-amino-3-[[4-(2-ethylphenyl)-1-methylindole-2-carbonyl]amino]propanoic acid Traditional Name: 2-amino-3-[[4-(2-ethylphenyl)-1-methyl-indole-2-carbonyl]amino]propionic acid Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=C3C=C(N(C3=CC=C2)C)C(=O)NCC(C(=O)O)N

Isomeric SMILES

CCC1=CC=CC=C1C2=C3C=C(N(C3=CC=C2)C)C(=O)NCC(C(=O)O)N

InChI

InChI=1S/C21H23N3O3/c1-3-13-7-4-5-8-14(13)15-9-6-10-18-16(15)11-19(24(18)2)20(25)23-12-17(22)21(26)27/h4-11,17H,3,12,22H2,1-2H3,(H,23,25)(H,26,27)