(3-butyl-1-methyl-2-propoxy-indol-4-yl)-phenyl-methanone; 1-iodanylbutan-1-amine

Systemtic Name: (3-butyl-1-methyl-2-propoxy-indol-4-yl)-phenyl-methanone; 1-iodanylbutan-1-amine Openeye Name: (3-butyl-1-methyl-2-propoxy-indol-4-yl)-phenyl-methanone; 1-iodobutan-1-amine CAS Name: (3-butyl-1-methyl-2-propoxy-4-indolyl)-phenylmethanone; 1-iodo-1-butanamine IUPAC Name: (3-butyl-1-methyl-2-propoxyindol-4-yl)-phenylmethanone; 1-iodobutan-1-amine Traditional Name: (3-butyl-1-methyl-2-propoxy-indol-4-yl)-phenyl-methanone; 1-iodobutylamine Formula: C27H37IN2O2 MolecularWeight: 548.49935

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C2=CC=CC(=C21)C(=O)C3=CC=CC=C3)C)OCCC.CCCC(N)I

Isomeric SMILES

CCCCC1=C(N(C2=CC=CC(=C21)C(=O)C3=CC=CC=C3)C)OCCC.CCCC(N)I

InChI

InChI=1S/C23H27NO2.C4H10IN/c1-4-6-13-19-21-18(22(25)17-11-8-7-9-12-17)14-10-15-20(21)24(3)23(19)26-16-5-2;1-2-3-4(5)6/h7-12,14-15H,4-6,13,16H2,1-3H3;4H,2-3,6H2,1H3