methyl 4-(4-nitrophenyl)-2-piperidin-1-yl-5,6-dihydro-4H-benzo[h]chromene-3-carboxylate

Systemtic Name: methyl 4-(4-nitrophenyl)-2-piperidin-1-yl-5,6-dihydro-4H-benzo[h]chromene-3-carboxylate Openeye Name: methyl 4-(4-nitrophenyl)-2-(1-piperidyl)-5,6-dihydro-4H-benzo[h]chromene-3-carboxylate CAS Name: 4-(4-nitrophenyl)-2-(1-piperidinyl)-5,6-dihydro-4H-benzo[h][1]benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-nitrophenyl)-2-piperidin-1-yl-5,6-dihydro-4H-benzo[h]chromene-3-carboxylate Traditional Name: 4-(4-nitrophenyl)-2-piperidino-5,6-dihydro-4H-benzo[h]chromene-3-carboxylic acid methyl ester Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C42)N5CCCCC5

Isomeric SMILES

COC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C42)N5CCCCC5

InChI

InChI=1S/C26H26N2O5/c1-32-26(29)23-22(18-9-12-19(13-10-18)28(30)31)21-14-11-17-7-3-4-8-20(17)24(21)33-25(23)27-15-5-2-6-16-27/h3-4,7-10,12-13,22H,2,5-6,11,14-16H2,1H3