methyl 9-(dimethylamino)-2,2-bis(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate

Systemtic Name: methyl 9-(dimethylamino)-2,2-bis(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate Openeye Name: methyl 9-(dimethylamino)-2,2-bis[4-(1-piperidyl)phenyl]benzo[h]chromene-5-carboxylate CAS Name: 9-(dimethylamino)-2,2-bis[4-(1-piperidinyl)phenyl]-5-benzo[h][1]benzopyrancarboxylic acid methyl ester IUPAC Name: methyl 9-(dimethylamino)-2,2-bis(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate Traditional Name: 9-(dimethylamino)-2,2-bis(4-piperidinophenyl)benzo[h]chromene-5-carboxylic acid methyl ester Formula: C39H43N3O3 MolecularWeight: 601.77702

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C3C(=C(C=C2C=C1)C(=O)OC)C=CC(O3)(C4=CC=C(C=C4)N5CCCCC5)C6=CC=C(C=C6)N7CCCCC7

Isomeric SMILES

CN(C)C1=CC2=C3C(=C(C=C2C=C1)C(=O)OC)C=CC(O3)(C4=CC=C(C=C4)N5CCCCC5)C6=CC=C(C=C6)N7CCCCC7

InChI

InChI=1S/C39H43N3O3/c1-40(2)33-15-10-28-26-36(38(43)44-3)34-20-21-39(45-37(34)35(28)27-33,29-11-16-31(17-12-29)41-22-6-4-7-23-41)30-13-18-32(19-14-30)42-24-8-5-9-25-42/h10-21,26-27H,4-9,22-25H2,1-3H3