6-bromanyl-2-methyl-5-[2-[2-(3-methylphenyl)ethylamino]-2-oxidanylidene-ethyl]-1H-indole-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-methyl-5-[2-[2-(3-methylphenyl)ethylamino]-2-oxidanylidene-ethyl]-1H-indole-3-carboxylic acid Openeye Name: 6-bromo-2-methyl-5-[2-[2-(m-tolyl)ethylamino]-2-oxo-ethyl]-1H-indole-3-carboxylic acid CAS Name: 6-bromo-2-methyl-5-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]-1H-indole-3-carboxylic acid IUPAC Name: 6-bromo-2-methyl-5-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]-1H-indole-3-carboxylic acid Traditional Name: 6-bromo-5-[2-keto-2-[2-(m-tolyl)ethylamino]ethyl]-2-methyl-1H-indole-3-carboxylic acid Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCNC(=O)CC2=C(C=C3C(=C2)C(=C(N3)C)C(=O)O)Br

Isomeric SMILES

CC1=CC(=CC=C1)CCNC(=O)CC2=C(C=C3C(=C2)C(=C(N3)C)C(=O)O)Br

InChI

InChI=1S/C21H21BrN2O3/c1-12-4-3-5-14(8-12)6-7-23-19(25)10-15-9-16-18(11-17(15)22)24-13(2)20(16)21(26)27/h3-5,8-9,11,24H,6-7,10H2,1-2H3,(H,23,25)(H,26,27)