4-[[3-(2-azanylethyl)-7-methoxy-1H-indol-5-yl]amino]-4-oxidanylidene-butanoic acid hydrochloride

Systemtic Name: 4-[[3-(2-azanylethyl)-7-methoxy-1H-indol-5-yl]amino]-4-oxidanylidene-butanoic acid hydrochloride Openeye Name: 4-[[3-(2-aminoethyl)-7-methoxy-1H-indol-5-yl]amino]-4-oxo-butanoic acid hydrochloride CAS Name: 4-[[3-(2-aminoethyl)-7-methoxy-1H-indol-5-yl]amino]-4-oxobutanoic acid hydrochloride IUPAC Name: 4-[[3-(2-aminoethyl)-7-methoxy-1H-indol-5-yl]amino]-4-oxobutanoic acid hydrochloride Traditional Name: 4-[[3-(2-aminoethyl)-7-methoxy-1H-indol-5-yl]amino]-4-keto-butyric acid hydrochloride Formula: C15H20ClN3O4 MolecularWeight: 341.79

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)NC(=O)CCC(=O)O)C(=CN2)CCN.Cl

Isomeric SMILES

COC1=C2C(=CC(=C1)NC(=O)CCC(=O)O)C(=CN2)CCN.Cl

InChI

InChI=1S/C15H19N3O4.ClH/c1-22-12-7-10(18-13(19)2-3-14(20)21)6-11-9(4-5-16)8-17-15(11)12;/h6-8,17H,2-5,16H2,1H3,(H,18,19)(H,20,21);1H