ethyl 5-[(2R)-3-(azepan-1-yl)-2-oxidanyl-propoxy]-2-methyl-1-(phenylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 5-[(2R)-3-(azepan-1-yl)-2-oxidanyl-propoxy]-2-methyl-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 5-[(2R)-3-(azepan-1-yl)-2-hydroxy-propoxy]-1-benzyl-2-methyl-indole-3-carboxylate CAS Name: 5-[(2R)-3-(1-azepanyl)-2-hydroxypropoxy]-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2R)-3-(azepan-1-yl)-2-hydroxypropoxy]-1-benzyl-2-methylindole-3-carboxylate Traditional Name: 5-[(2R)-3-(azepan-1-yl)-2-hydroxy-propoxy]-1-benzyl-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCCCCC3)O)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC[C@@H](CN3CCCCCC3)O)CC4=CC=CC=C4)C

InChI

InChI=1S/C28H36N2O4/c1-3-33-28(32)27-21(2)30(18-22-11-7-6-8-12-22)26-14-13-24(17-25(26)27)34-20-23(31)19-29-15-9-4-5-10-16-29/h6-8,11-14,17,23,31H,3-5,9-10,15-16,18-20H2,1-2H3/t23-/m1/s1