ethyl 6-bromanyl-5-methoxy-2-methyl-1-[2-oxidanyl-3-[(phenylmethyl)amino]propyl]indole-3-carboxylate hydrochloride

Systemtic Name: ethyl 6-bromanyl-5-methoxy-2-methyl-1-[2-oxidanyl-3-[(phenylmethyl)amino]propyl]indole-3-carboxylate hydrochloride Openeye Name: ethyl 1-[3-(benzylamino)-2-hydroxy-propyl]-6-bromo-5-methoxy-2-methyl-indole-3-carboxylate hydrochloride CAS Name: 6-bromo-1-[2-hydroxy-3-[(phenylmethyl)amino]propyl]-5-methoxy-2-methyl-3-indolecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 1-[3-(benzylamino)-2-hydroxypropyl]-6-bromo-5-methoxy-2-methylindole-3-carboxylate hydrochloride Traditional Name: 1-[3-(benzylamino)-2-hydroxy-propyl]-6-bromo-5-methoxy-2-methyl-indole-3-carboxylic acid ethyl ester hydrochloride Formula: C23H28BrClN2O4 MolecularWeight: 511.83642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)CC(CNCC3=CC=CC=C3)O)C.Cl

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)CC(CNCC3=CC=CC=C3)O)C.Cl

InChI

InChI=1S/C23H27BrN2O4.ClH/c1-4-30-23(28)22-15(2)26(20-11-19(24)21(29-3)10-18(20)22)14-17(27)13-25-12-16-8-6-5-7-9-16;/h5-11,17,25,27H,4,12-14H2,1-3H3;1H