ethanedioic acid; 3-[3-[5-(2-methoxyethyl)-4-(phenylmethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole

Systemtic Name: ethanedioic acid; 3-[3-[5-(2-methoxyethyl)-4-(phenylmethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole Openeye Name: 3-[3-[4-benzyl-5-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole; oxalic acid CAS Name: 3-[3-[5-(2-methoxyethyl)-4-(phenylmethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole; oxalic acid IUPAC Name: 3-[3-[4-benzyl-5-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole; oxalic acid Traditional Name: 3-[3-[4-benzyl-5-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole; oxalic acid Formula: C30H35N5O5 MolecularWeight: 545.6294

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1=C(CCN(C1)CCCC2=CNC3=C2C=C(C=C3)N4C=NN=C4)CC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

COCCC1=C(CCN(C1)CCCC2=CNC3=C2C=C(C=C3)N4C=NN=C4)CC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H33N5O.C2H2O4/c1-34-15-12-25-19-32(14-11-23(25)16-22-6-3-2-4-7-22)13-5-8-24-18-29-28-10-9-26(17-27(24)28)33-20-30-31-21-33;3-1(4)2(5)6/h2-4,6-7,9-10,17-18,20-21,29H,5,8,11-16,19H2,1H3;(H,3,4)(H,5,6)