4-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoylamino]-4-prop-2-enoxy-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoylamino]-4-prop-2-enoxy-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-[4-allyloxy-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-[3-[[[3-[4-(2-methoxyphenyl)-1-piperazinyl]propylamino]-oxomethyl]amino]-4-prop-2-enoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoylamino]-4-prop-2-enoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-[4-allyloxy-3-[3-[4-(2-methoxyphenyl)piperazino]propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C33H41N5O7 MolecularWeight: 619.70794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=C(C=C2)OCC=C)NC(=O)NCCCN3CCN(CC3)C4=CC=CC=C4OC)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=C(C=C2)OCC=C)NC(=O)NCCCN3CCN(CC3)C4=CC=CC=C4OC)C(=O)O

InChI

InChI=1S/C33H41N5O7/c1-5-19-45-26-12-11-23(30-28(31(39)40)21(2)35-22(3)29(30)32(41)42)20-24(26)36-33(43)34-13-8-14-37-15-17-38(18-16-37)25-9-6-7-10-27(25)44-4/h5-7,9-12,20,30,35H,1,8,13-19H2,2-4H3,(H,39,40)(H,41,42)(H2,34,36,43)