2-(5-cyano-8-methyl-7-phenylmethoxy-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid

Systemtic Name: 2-(5-cyano-8-methyl-7-phenylmethoxy-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid Openeye Name: 2-(7-benzyloxy-5-cyano-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid CAS Name: 2-(5-cyano-8-methyl-7-phenylmethoxy-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid IUPAC Name: 2-(5-cyano-8-methyl-7-phenylmethoxy-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid Traditional Name: 2-(7-benzoxy-5-cyano-8-methyl-1-propyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C(CCO1)C3=C(N2)C(=C(C=C3C#N)OCC4=CC=CC=C4)C)CC(=O)O

Isomeric SMILES

CCCC1(C2=C(CCO1)C3=C(N2)C(=C(C=C3C#N)OCC4=CC=CC=C4)C)CC(=O)O

InChI

InChI=1S/C25H26N2O4/c1-3-10-25(13-21(28)29)24-19(9-11-31-25)22-18(14-26)12-20(16(2)23(22)27-24)30-15-17-7-5-4-6-8-17/h4-8,12,27H,3,9-11,13,15H2,1-2H3,(H,28,29)