4-(4-bromophenyl)-2-[2-(1H-indol-3-yl)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-bromophenyl)-2-[2-(1H-indol-3-yl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-bromophenyl)-2-[2-(1H-indol-3-yl)ethylamino]-4-oxo-butanoic acid CAS Name: 4-(4-bromophenyl)-2-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-(4-bromophenyl)-2-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoic acid Traditional Name: 4-(4-bromophenyl)-2-[2-(1H-indol-3-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(=CN2)CCNC(CC(=O)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)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)11-18(20(25)26)22-10-9-14-12-23-17-4-2-1-3-16(14)17/h1-8,12,18,22-23H,9-11H2,(H,25,26)