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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC(=C4)C(=O)OC)CC(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC(=C4)C(=O)OC)CC(=O)N

InChI

InChI=1S/C27H26N2O4/c1-18-23(15-26(28)30)24-14-22(33-17-20-9-6-10-21(13-20)27(31)32-2)11-12-25(24)29(18)16-19-7-4-3-5-8-19/h3-14H,15-17H2,1-2H3,(H2,28,30)