4-[2-(7-chloranyl-3-methanoyl-1H-pyrrolo[3,2-c]quinolin-2-yl)ethylamino]benzoic acid

Systemtic Name: 4-[2-(7-chloranyl-3-methanoyl-1H-pyrrolo[3,2-c]quinolin-2-yl)ethylamino]benzoic acid Openeye Name: 4-[2-(7-chloro-3-formyl-1H-pyrrolo[3,2-c]quinolin-2-yl)ethylamino]benzoic acid CAS Name: 4-[2-(7-chloro-3-formyl-1H-pyrrolo[3,2-c]quinolin-2-yl)ethylamino]benzoic acid IUPAC Name: 4-[2-(7-chloro-3-formyl-1H-pyrrolo[3,2-c]quinolin-2-yl)ethylamino]benzoic acid Traditional Name: 4-[2-(7-chloro-3-formyl-1H-pyrrolo[3,2-c]quinolin-2-yl)ethylamino]benzoic acid Formula: C21H16ClN3O3 MolecularWeight: 393.82304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCCC2=C(C3=CN=C4C=C(C=CC4=C3N2)Cl)C=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCCC2=C(C3=CN=C4C=C(C=CC4=C3N2)Cl)C=O

InChI

InChI=1S/C21H16ClN3O3/c22-13-3-6-15-19(9-13)24-10-16-17(11-26)18(25-20(15)16)7-8-23-14-4-1-12(2-5-14)21(27)28/h1-6,9-11,23,25H,7-8H2,(H,27,28)