decanedioic acid; 1-[3-[1-(2-methylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]butan-1-one

Systemtic Name: decanedioic acid; 1-[3-[1-(2-methylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]butan-1-one Openeye Name: decanedioic acid; 1-[3-(1-isobutyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]butan-1-one CAS Name: decanedioic acid; 1-[3-[1-(2-methylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]-1-butanone IUPAC Name: decanedioic acid; 1-[3-[1-(2-methylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]butan-1-one Traditional Name: 1-[3-(1-isobutyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]butan-1-one; sebacic acid Formula: C31H46N2O5 MolecularWeight: 526.70734

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)NC=C2C3=CCN(CC3)CC(C)C.C(CCCCC(=O)O)CCCC(=O)O

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)NC=C2C3=CCN(CC3)CC(C)C.C(CCCCC(=O)O)CCCC(=O)O

InChI

InChI=1S/C21H28N2O.C10H18O4/c1-4-5-21(24)17-6-7-20-18(12-17)19(13-22-20)16-8-10-23(11-9-16)14-15(2)3;11-9(12)7-5-3-1-2-4-6-8-10(13)14/h6-8,12-13,15,22H,4-5,9-11,14H2,1-3H3;1-8H2,(H,11,12)(H,13,14)