ethanedioic acid; 5-phenylmethoxy-1-(1-pyridin-4-ylbutyl)indole

Systemtic Name: ethanedioic acid; 5-phenylmethoxy-1-(1-pyridin-4-ylbutyl)indole Openeye Name: 5-benzyloxy-1-[1-(4-pyridyl)butyl]indole; oxalic acid CAS Name: oxalic acid; 5-phenylmethoxy-1-(1-pyridin-4-ylbutyl)indole IUPAC Name: oxalic acid; 5-phenylmethoxy-1-(1-pyridin-4-ylbutyl)indole Traditional Name: 5-benzoxy-1-[1-(4-pyridyl)butyl]indole; oxalic acid Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=NC=C1)N2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCCC(C1=CC=NC=C1)N2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H24N2O.C2H2O4/c1-2-6-23(20-11-14-25-15-12-20)26-16-13-21-17-22(9-10-24(21)26)27-18-19-7-4-3-5-8-19;3-1(4)2(5)6/h3-5,7-17,23H,2,6,18H2,1H3;(H,3,4)(H,5,6)