3-[1-(5-azanyl-3-methyl-5-oxidanylidene-pentyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]propanoic acid

Systemtic Name: 3-[1-(5-azanyl-3-methyl-5-oxidanylidene-pentyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]propanoic acid Openeye Name: 3-[1-(5-amino-3-methyl-5-oxo-pentyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]propanoic acid CAS Name: 3-[1-(5-amino-3-methyl-5-oxopentyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]propanoic acid IUPAC Name: 3-[1-(5-amino-3-methyl-5-oxopentyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]propanoic acid Traditional Name: 3-[1-(5-amino-5-keto-3-methyl-pentyl)-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]propionic acid Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1(C2=C(CCO1)C3=CC=CC=C3N2)CCC(=O)O)CC(=O)N

Isomeric SMILES

CC(CCC1(C2=C(CCO1)C3=CC=CC=C3N2)CCC(=O)O)CC(=O)N

InChI

InChI=1S/C20H26N2O4/c1-13(12-17(21)23)6-9-20(10-7-18(24)25)19-15(8-11-26-20)14-4-2-3-5-16(14)22-19/h2-5,13,22H,6-12H2,1H3,(H2,21,23)(H,24,25)