[4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] pyridine-3-carboxylate; naphthalene-1,5-disulfonic acid

Systemtic Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] pyridine-3-carboxylate; naphthalene-1,5-disulfonic acid Openeye Name: [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] pyridine-3-carboxylate; naphthalene-1,5-disulfonic acid CAS Name: naphthalene-1,5-disulfonic acid; 3-pyridinecarboxylic acid [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] ester IUPAC Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] pyridine-3-carboxylate; naphthalene-1,5-disulfonic acid Traditional Name: naphthalene-1,5-disulfonic acid; nicotinic acid [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] ester Formula: C30H34N2O9S2 MolecularWeight: 630.72896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC(=O)C2=CN=CC=C2)C(C)C)OCCN(C)C.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1OC(=O)C2=CN=CC=C2)C(C)C)OCCN(C)C.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C20H26N2O3.C10H8O6S2/c1-14(2)17-12-18(25-20(23)16-7-6-8-21-13-16)15(3)11-19(17)24-10-9-22(4)5;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h6-8,11-14H,9-10H2,1-5H3;1-6H,(H,11,12,13)(H,14,15,16)