4-(4-bromophenyl)-2-[2-(1H-indol-2-yl)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-bromophenyl)-2-[2-(1H-indol-2-yl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-bromophenyl)-2-[2-(1H-indol-2-yl)ethylamino]-4-oxo-butanoic acid CAS Name: 4-(4-bromophenyl)-2-[2-(1H-indol-2-yl)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-(4-bromophenyl)-2-[2-(1H-indol-2-yl)ethylamino]-4-oxobutanoic acid Traditional Name: 4-(4-bromophenyl)-2-[2-(1H-indol-2-yl)ethylamino]-4-keto-butyric acid Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N2)CCNC(CC(=O)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N2)CCNC(CC(=O)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C20H19BrN2O3/c21-15-7-5-13(6-8-15)19(24)12-18(20(25)26)22-10-9-16-11-14-3-1-2-4-17(14)23-16/h1-8,11,18,22-23H,9-10,12H2,(H,25,26)