(E)-3-[5-[(4-methoxyphenyl)methoxy]-1-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-5-phenylmethoxy-4H-indol-3-yl]-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[5-[(4-methoxyphenyl)methoxy]-1-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-5-phenylmethoxy-4H-indol-3-yl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[5-benzyloxy-5-[(4-methoxyphenyl)methoxy]-1-[2-[methyl(phenethyl)amino]-2-oxo-ethyl]-4H-indol-3-yl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[5-[(4-methoxyphenyl)methoxy]-1-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenylmethoxy-4H-indol-3-yl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[5-[(4-methoxyphenyl)methoxy]-1-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenylmethoxy-4H-indol-3-yl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[5-benzoxy-1-[2-keto-2-[methyl(phenethyl)amino]ethyl]-5-p-anisyloxy-4H-indol-3-yl]-2-methyl-acrylic acid Formula: C38H40N2O6 MolecularWeight: 620.734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CN(C2=C1CC(C=C2)(OCC3=CC=CC=C3)OCC4=CC=C(C=C4)OC)CC(=O)N(C)CCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C/C(=C\C1=CN(C2=C1CC(C=C2)(OCC3=CC=CC=C3)OCC4=CC=C(C=C4)OC)CC(=O)N(C)CCC5=CC=CC=C5)/C(=O)O

InChI

InChI=1S/C38H40N2O6/c1-28(37(42)43)22-32-24-40(25-36(41)39(2)21-19-29-10-6-4-7-11-29)35-18-20-38(23-34(32)35,45-26-30-12-8-5-9-13-30)46-27-31-14-16-33(44-3)17-15-31/h4-18,20,22,24H,19,21,23,25-27H2,1-3H3,(H,42,43)/b28-22+