1-[(1-butylpiperidin-4-yl)methyl]-3,4a-dihydro-2H-benzo[f]chromene-10-carboxylate

Systemtic Name: 1-[(1-butylpiperidin-4-yl)methyl]-3,4a-dihydro-2H-benzo[f]chromene-10-carboxylate Openeye Name: 1-[(1-butyl-4-piperidyl)methyl]-3,4a-dihydro-2H-benzo[f]chromene-10-carboxylate CAS Name: 1-[(1-butyl-4-piperidinyl)methyl]-3,4a-dihydro-2H-benzo[f][1]benzopyran-10-carboxylate IUPAC Name: 1-[(1-butylpiperidin-4-yl)methyl]-3,4a-dihydro-2H-benzo[f]chromene-10-carboxylate Traditional Name: 1-[(1-butyl-4-piperidyl)methyl]-3,4a-dihydro-2H-benzo[f]chromene-10-carboxylate Formula: C24H30NO3- MolecularWeight: 380.4999

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)CC2=C3C(C=CC4=C3C(=CC=C4)C(=O)[O-])OCC2

Isomeric SMILES

CCCCN1CCC(CC1)CC2=C3C(C=CC4=C3C(=CC=C4)C(=O)[O-])OCC2

InChI

InChI=1S/C24H31NO3/c1-2-3-12-25-13-9-17(10-14-25)16-19-11-15-28-21-8-7-18-5-4-6-20(24(26)27)22(18)23(19)21/h4-8,17,21H,2-3,9-16H2,1H3,(H,26,27)/p-1