but-2-ynedioic acid; 1-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]heptan-1-one

Systemtic Name: but-2-ynedioic acid; 1-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]heptan-1-one Openeye Name: but-2-ynedioic acid; 1-[3-[1-(1-methylbutyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]heptan-1-one CAS Name: 2-butynedioic acid; 1-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-heptanone IUPAC Name: but-2-ynedioic acid; 1-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]heptan-1-one Traditional Name: but-2-ynedioic acid; 1-[3-[1-(1-methylbutyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]heptan-1-one Formula: C29H38N2O5 MolecularWeight: 494.62242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)C1=CC2=C(C=C1)NC=C2C3=CCN(CC3)C(C)CCC.C(#CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC(=O)C1=CC2=C(C=C1)NC=C2C3=CCN(CC3)C(C)CCC.C(#CC(=O)O)C(=O)O

InChI

InChI=1S/C25H36N2O.C4H2O4/c1-4-6-7-8-10-25(28)21-11-12-24-22(17-21)23(18-26-24)20-13-15-27(16-14-20)19(3)9-5-2;5-3(6)1-2-4(7)8/h11-13,17-19,26H,4-10,14-16H2,1-3H3;(H,5,6)(H,7,8)