ethyl 4-[3-(3-azanyl-3-oxidanylidene-propyl)-2-methyl-1-(phenylmethyl)indol-5-yl]oxybutanoate

Systemtic Name: ethyl 4-[3-(3-azanyl-3-oxidanylidene-propyl)-2-methyl-1-(phenylmethyl)indol-5-yl]oxybutanoate Openeye Name: ethyl 4-[3-(3-amino-3-oxo-propyl)-1-benzyl-2-methyl-indol-5-yl]oxybutanoate CAS Name: 4-[[3-(3-amino-3-oxopropyl)-2-methyl-1-(phenylmethyl)-5-indolyl]oxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-amino-3-oxopropyl)-1-benzyl-2-methylindol-5-yl]oxybutanoate Traditional Name: 4-[3-(3-amino-3-keto-propyl)-1-benzyl-2-methyl-indol-5-yl]oxybutyric acid ethyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC2=C(C=C1)N(C(=C2CCC(=O)N)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCOC1=CC2=C(C=C1)N(C(=C2CCC(=O)N)C)CC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O4/c1-3-30-25(29)10-7-15-31-20-11-13-23-22(16-20)21(12-14-24(26)28)18(2)27(23)17-19-8-5-4-6-9-19/h4-6,8-9,11,13,16H,3,7,10,12,14-15,17H2,1-2H3,(H2,26,28)