2-[3-azanyl-5-(7-chloranylquinolin-4-yl)-2-ethoxy-4-methyl-phenyl]-2-pyrrol-1-yl-propanoic acid

Systemtic Name: 2-[3-azanyl-5-(7-chloranylquinolin-4-yl)-2-ethoxy-4-methyl-phenyl]-2-pyrrol-1-yl-propanoic acid Openeye Name: 2-[3-amino-5-(7-chloro-4-quinolyl)-2-ethoxy-4-methyl-phenyl]-2-pyrrol-1-yl-propanoic acid CAS Name: 2-[3-amino-5-(7-chloro-4-quinolinyl)-2-ethoxy-4-methylphenyl]-2-(1-pyrrolyl)propanoic acid IUPAC Name: 2-[3-amino-5-(7-chloroquinolin-4-yl)-2-ethoxy-4-methylphenyl]-2-pyrrol-1-ylpropanoic acid Traditional Name: 2-[3-amino-5-(7-chloro-4-quinolyl)-2-ethoxy-4-methyl-phenyl]-2-pyrrol-1-yl-propionic acid Formula: C25H24ClN3O3 MolecularWeight: 449.92936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1N)C)C2=C3C=CC(=CC3=NC=C2)Cl)C(C)(C(=O)O)N4C=CC=C4

Isomeric SMILES

CCOC1=C(C=C(C(=C1N)C)C2=C3C=CC(=CC3=NC=C2)Cl)C(C)(C(=O)O)N4C=CC=C4

InChI

InChI=1S/C25H24ClN3O3/c1-4-32-23-20(25(3,24(30)31)29-11-5-6-12-29)14-19(15(2)22(23)27)17-9-10-28-21-13-16(26)7-8-18(17)21/h5-14H,4,27H2,1-3H3,(H,30,31)