2-(5,9-diethyl-4-prop-2-enyl-3,4-dihydro-1H-pyrano[3,4-b]indol-1-yl)ethanoic acid

Systemtic Name: 2-(5,9-diethyl-4-prop-2-enyl-3,4-dihydro-1H-pyrano[3,4-b]indol-1-yl)ethanoic acid Openeye Name: 2-(4-allyl-5,9-diethyl-3,4-dihydro-1H-pyrano[3,4-b]indol-1-yl)acetic acid CAS Name: 2-(5,9-diethyl-4-prop-2-enyl-3,4-dihydro-1H-pyrano[3,4-b]indol-1-yl)acetic acid IUPAC Name: 2-(5,9-diethyl-4-prop-2-enyl-3,4-dihydro-1H-pyrano[3,4-b]indol-1-yl)acetic acid Traditional Name: 2-(4-allyl-5,9-diethyl-3,4-dihydro-1H-pyran[3,4-b]indol-1-yl)acetic acid Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)N(C3=C2C(COC3CC(=O)O)CC=C)CC

Isomeric SMILES

CCC1=C2C(=CC=C1)N(C3=C2C(COC3CC(=O)O)CC=C)CC

InChI

InChI=1S/C20H25NO3/c1-4-8-14-12-24-16(11-17(22)23)20-19(14)18-13(5-2)9-7-10-15(18)21(20)6-3/h4,7,9-10,14,16H,1,5-6,8,11-12H2,2-3H3,(H,22,23)