(phenylmethyl) 5-[2-(azepan-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylate

Systemtic Name: (phenylmethyl) 5-[2-(azepan-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylate Openeye Name: benzyl 5-[2-(azepan-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylate CAS Name: 5-[2-(1-azepanyl)ethoxy]-2-methyl-1H-indole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[2-(azepan-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylate Traditional Name: 5-[2-(azepan-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylic acid benzyl ester Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)OCCN3CCCCCC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)OCCN3CCCCCC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H30N2O3/c1-19-24(25(28)30-18-20-9-5-4-6-10-20)22-17-21(11-12-23(22)26-19)29-16-15-27-13-7-2-3-8-14-27/h4-6,9-12,17,26H,2-3,7-8,13-16,18H2,1H3