2-acetyloxyethyl 4-azanyl-3-bromanyl-5-(piperidin-1-ylmethyl)benzoate; 2,6-bis(chloranyl)-N-phenyl-aniline

Systemtic Name: 2-acetyloxyethyl 4-azanyl-3-bromanyl-5-(piperidin-1-ylmethyl)benzoate; 2,6-bis(chloranyl)-N-phenyl-aniline Openeye Name: 2-acetoxyethyl 4-amino-3-bromo-5-(1-piperidylmethyl)benzoate; 2,6-dichloro-N-phenyl-aniline CAS Name: 4-amino-3-bromo-5-(1-piperidinylmethyl)benzoic acid 2-acetyloxyethyl ester; 2,6-dichloro-N-phenylaniline IUPAC Name: 2-acetyloxyethyl 4-amino-3-bromo-5-(piperidin-1-ylmethyl)benzoate; 2,6-dichloro-N-phenylaniline Traditional Name: 4-amino-3-bromo-5-(piperidinomethyl)benzoic acid 2-acetoxyethyl ester; (2,6-dichlorophenyl)-phenyl-amine Formula: C29H32BrCl2N3O4 MolecularWeight: 637.39208

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOC(=O)C1=CC(=C(C(=C1)Br)N)CN2CCCCC2.C1=CC=C(C=C1)NC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CC(=O)OCCOC(=O)C1=CC(=C(C(=C1)Br)N)CN2CCCCC2.C1=CC=C(C=C1)NC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C17H23BrN2O4.C12H9Cl2N/c1-12(21)23-7-8-24-17(22)13-9-14(16(19)15(18)10-13)11-20-5-3-2-4-6-20;13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h9-10H,2-8,11,19H2,1H3;1-8,15H