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

Systemtic Name: ethyl 3-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]oxybenzoate Openeye Name: ethyl 3-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-5-yl]oxybenzoate CAS Name: 3-[[3-(2-amino-2-oxoethyl)-2-methyl-1-(phenylmethyl)-5-indolyl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-5-yl]oxybenzoate Traditional Name: 3-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-methyl-indol-5-yl]oxybenzoic acid ethyl ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)OC2=CC3=C(C=C2)N(C(=C3CC(=O)N)C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)OC2=CC3=C(C=C2)N(C(=C3CC(=O)N)C)CC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O4/c1-3-32-27(31)20-10-7-11-21(14-20)33-22-12-13-25-24(15-22)23(16-26(28)30)18(2)29(25)17-19-8-5-4-6-9-19/h4-15H,3,16-17H2,1-2H3,(H2,28,30)