(E)-3-[2-[4-[1-azanyl-3-[4-[2-[2,6-bis(chloranyl)-4-methyl-phenoxy]ethoxy]phenyl]propan-2-yl]-3-methyl-phenyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-[4-[1-azanyl-3-[4-[2-[2,6-bis(chloranyl)-4-methyl-phenoxy]ethoxy]phenyl]propan-2-yl]-3-methyl-phenyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-[4-[1-(aminomethyl)-2-[4-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]phenyl]ethyl]-3-methyl-phenyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-[4-[1-amino-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]propan-2-yl]-3-methylphenyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-[4-[1-amino-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]propan-2-yl]-3-methylphenyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-[4-[1-(aminomethyl)-2-[4-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]phenyl]ethyl]-3-methyl-phenyl]phenyl]acrylic acid Formula: C34H33Cl2NO4 MolecularWeight: 590.53612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)CC(CN)C3=C(C=C(C=C3)C4=CC=CC=C4C=CC(=O)O)C)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)CC(CN)C3=C(C=C(C=C3)C4=CC=CC=C4/C=C/C(=O)O)C)Cl

InChI

InChI=1S/C34H33Cl2NO4/c1-22-17-31(35)34(32(36)18-22)41-16-15-40-28-11-7-24(8-12-28)20-27(21-37)29-13-9-26(19-23(29)2)30-6-4-3-5-25(30)10-14-33(38)39/h3-14,17-19,27H,15-16,20-21,37H2,1-2H3,(H,38,39)/b14-10+