3-[4-(2-chlorophenyl)piperazin-1-yl]propyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate dihydrochloride

Systemtic Name: 3-[4-(2-chlorophenyl)piperazin-1-yl]propyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate dihydrochloride Openeye Name: 3-[4-(2-chlorophenyl)piperazin-1-yl]propyl 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate dihydrochloride CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid 3-[4-(2-chlorophenyl)-1-piperazinyl]propyl ester dihydrochloride IUPAC Name: 3-[4-(2-chlorophenyl)piperazin-1-yl]propyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate dihydrochloride Traditional Name: 4-keto-3-methyl-2-phenyl-chromene-8-carboxylic acid 3-[4-(2-chlorophenyl)piperazino]propyl ester dihydrochloride Formula: C30H31Cl3N2O4 MolecularWeight: 589.93714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCCN3CCN(CC3)C4=CC=CC=C4Cl)C5=CC=CC=C5.Cl.Cl

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCCN3CCN(CC3)C4=CC=CC=C4Cl)C5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C30H29ClN2O4.2ClH/c1-21-27(34)23-11-7-12-24(29(23)37-28(21)22-9-3-2-4-10-22)30(35)36-20-8-15-32-16-18-33(19-17-32)26-14-6-5-13-25(26)31;;/h2-7,9-14H,8,15-20H2,1H3;2*1H