2-acetyloxyethyl 4-azanyl-3-bromanyl-5-[(cyclohexylamino)methyl]benzoate; (4-chlorophenyl)-(5-methoxy-2-methyl-indol-1-yl)methanone

Systemtic Name: 2-acetyloxyethyl 4-azanyl-3-bromanyl-5-[(cyclohexylamino)methyl]benzoate; (4-chlorophenyl)-(5-methoxy-2-methyl-indol-1-yl)methanone Openeye Name: 2-acetoxyethyl 4-amino-3-bromo-5-[(cyclohexylamino)methyl]benzoate; (4-chlorophenyl)-(5-methoxy-2-methyl-indol-1-yl)methanone CAS Name: 4-amino-3-bromo-5-[(cyclohexylamino)methyl]benzoic acid 2-acetyloxyethyl ester; (4-chlorophenyl)-(5-methoxy-2-methyl-1-indolyl)methanone IUPAC Name: 2-acetyloxyethyl 4-amino-3-bromo-5-[(cyclohexylamino)methyl]benzoate; (4-chlorophenyl)-(5-methoxy-2-methylindol-1-yl)methanone Traditional Name: 4-amino-3-bromo-5-[(cyclohexylamino)methyl]benzoic acid 2-acetoxyethyl ester; (4-chlorophenyl)-(5-methoxy-2-methyl-indol-1-yl)methanone Formula: C35H39BrClN3O6 MolecularWeight: 713.05766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC.CC(=O)OCCOC(=O)C1=CC(=C(C(=C1)Br)N)CNC2CCCCC2

Isomeric SMILES

CC1=CC2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC.CC(=O)OCCOC(=O)C1=CC(=C(C(=C1)Br)N)CNC2CCCCC2

InChI

InChI=1S/C18H25BrN2O4.C17H14ClNO2/c1-12(22)24-7-8-25-18(23)13-9-14(17(20)16(19)10-13)11-21-15-5-3-2-4-6-15;1-11-9-13-10-15(21-2)7-8-16(13)19(11)17(20)12-3-5-14(18)6-4-12/h9-10,15,21H,2-8,11,20H2,1H3;3-10H,1-2H3