ethyl 5-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-6-yl]oxypentanoate

Systemtic Name: ethyl 5-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-6-yl]oxypentanoate Openeye Name: ethyl 5-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-6-yl]oxypentanoate CAS Name: 5-[[3-(2-amino-2-oxoethyl)-2-methyl-1-(phenylmethyl)-6-indolyl]oxy]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-6-yl]oxypentanoate Traditional Name: 5-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-methyl-indol-6-yl]oxyvaleric acid ethyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCOC1=CC2=C(C=C1)C(=C(N2CC3=CC=CC=C3)C)CC(=O)N

Isomeric SMILES

CCOC(=O)CCCCOC1=CC2=C(C=C1)C(=C(N2CC3=CC=CC=C3)C)CC(=O)N

InChI

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