naphthalene-1,5-disulfonic acid; [8-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-yl-methanone

Systemtic Name: naphthalene-1,5-disulfonic acid; [8-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-yl-methanone Openeye Name: [8-[2-hydroxy-3-(isopropylamino)propoxy]-3,4-dihydro-2H-quinolin-1-yl]-(3-pyridyl)methanone; naphthalene-1,5-disulfonic acid CAS Name: [8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-quinolin-1-yl]-(3-pyridinyl)methanone; naphthalene-1,5-disulfonic acid IUPAC Name: [8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone; naphthalene-1,5-disulfonic acid Traditional Name: [8-[2-hydroxy-3-(isopropylamino)propoxy]-3,4-dihydro-2H-quinolin-1-yl]-(3-pyridyl)methanone; naphthalene-1,5-disulfonic acid Formula: C31H35N3O9S2 MolecularWeight: 657.7543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=CC2=C1N(CCC2)C(=O)C3=CN=CC=C3)O.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

Isomeric SMILES

CC(C)NCC(COC1=CC=CC2=C1N(CCC2)C(=O)C3=CN=CC=C3)O.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C21H27N3O3.C10H8O6S2/c1-15(2)23-13-18(25)14-27-19-9-3-6-16-8-5-11-24(20(16)19)21(26)17-7-4-10-22-12-17;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h3-4,6-7,9-10,12,15,18,23,25H,5,8,11,13-14H2,1-2H3;1-6H,(H,11,12,13)(H,14,15,16)