(E)-3-(4-acetamidophenyl)-N-[2-[[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methyl-amino]-2-oxidanylidene-ethyl]prop-2-enamide hydrochloride

Systemtic Name: (E)-3-(4-acetamidophenyl)-N-[2-[[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methyl-amino]-2-oxidanylidene-ethyl]prop-2-enamide hydrochloride Openeye Name: (E)-3-(4-acetamidophenyl)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methyl-8-quinolyl)oxymethyl]anilino]-2-oxo-ethyl]prop-2-enamide hydrochloride CAS Name: (E)-3-(4-acetamidophenyl)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methyl-8-quinolinyl)oxymethyl]anilino]-2-oxoethyl]-2-propenamide hydrochloride IUPAC Name: (E)-3-(4-acetamidophenyl)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]prop-2-enamide hydrochloride Traditional Name: (E)-3-(4-acetamidophenyl)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methyl-8-quinolyl)oxymethyl]anilino]-2-keto-ethyl]acrylamide hydrochloride Formula: C31H29Cl3N4O4 MolecularWeight: 627.94536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)C=CC4=CC=C(C=C4)NC(=O)C)Cl)C=C1.Cl

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)/C=C/C4=CC=C(C=C4)NC(=O)C)Cl)C=C1.Cl

InChI

InChI=1S/C31H28Cl2N4O4.ClH/c1-19-7-11-22-5-4-6-27(31(22)35-19)41-18-24-25(32)14-15-26(30(24)33)37(3)29(40)17-34-28(39)16-10-21-8-12-23(13-9-21)36-20(2)38;/h4-16H,17-18H2,1-3H3,(H,34,39)(H,36,38);1H/b16-10+;