2-[(1S)-5-bromanyl-1-butan-2-yl-8-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid

Systemtic Name: 2-[(1S)-5-bromanyl-1-butan-2-yl-8-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-[(1S)-5-bromo-8-methyl-1-sec-butyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid CAS Name: 2-[(1S)-5-bromo-1-butan-2-yl-8-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid IUPAC Name: 2-[(1S)-5-bromo-1-butan-2-yl-8-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid Traditional Name: 2-[(1S)-5-bromo-8-methyl-1-sec-butyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]acetic acid Formula: C18H22BrNO3 MolecularWeight: 380.27618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1(C2=C(CCO1)C3=C(C=CC(=C3N2)C)Br)CC(=O)O

Isomeric SMILES

CCC(C)[C@]1(C2=C(CCO1)C3=C(C=CC(=C3N2)C)Br)CC(=O)O

InChI

InChI=1S/C18H22BrNO3/c1-4-11(3)18(9-14(21)22)17-12(7-8-23-18)15-13(19)6-5-10(2)16(15)20-17/h5-6,11,20H,4,7-9H2,1-3H3,(H,21,22)/t11?,18-/m0/s1