[(1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-6-methoxy-2,3-dihydro-1H-inden-1-yl] 4-nitrobenzoate

Systemtic Name: [(1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-6-methoxy-2,3-dihydro-1H-inden-1-yl] 4-nitrobenzoate Openeye Name: [(1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperidyl]-6-methoxy-indan-1-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperidinyl]-6-methoxy-2,3-dihydro-1H-inden-1-yl] ester IUPAC Name: [(1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-6-methoxy-2,3-dihydro-1H-inden-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidino]-6-methoxy-indan-1-yl] ester Formula: C30H30N2O7 MolecularWeight: 530.5684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CC(C2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4CCC(CC4)C5=C6C(=CC=C5)OCCO6)C=C1

Isomeric SMILES

COC1=CC2=C(C[C@H]([C@@H]2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4CCC(CC4)C5=C6C(=CC=C5)OCCO6)C=C1

InChI

InChI=1S/C30H30N2O7/c1-36-23-10-7-21-17-26(28(25(21)18-23)39-30(33)20-5-8-22(9-6-20)32(34)35)31-13-11-19(12-14-31)24-3-2-4-27-29(24)38-16-15-37-27/h2-10,18-19,26,28H,11-17H2,1H3/t26-,28-/m1/s1