methyl (7E)-10-bromanyl-1-[(4-methoxyphenyl)methyl]-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylate

Systemtic Name: methyl (7E)-10-bromanyl-1-[(4-methoxyphenyl)methyl]-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylate Openeye Name: methyl (7E)-10-bromo-1-[(4-methoxyphenyl)methyl]-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylate CAS Name: (7E)-10-bromo-1-[(4-methoxyphenyl)methyl]-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylic acid methyl ester IUPAC Name: methyl (7E)-10-bromo-1-[(4-methoxyphenyl)methyl]-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylate Traditional Name: (7E)-10-bromo-1-p-anisyl-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylic acid methyl ester Formula: C23H26BrNO3 MolecularWeight: 444.36144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCCCC(=CC3=C2C=CC(=C3)Br)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCCC/C(=C\C3=C2C=CC(=C3)Br)/C(=O)OC

InChI

InChI=1S/C23H26BrNO3/c1-27-21-10-7-17(8-11-21)16-25-13-5-3-4-6-18(23(26)28-2)14-19-15-20(24)9-12-22(19)25/h7-12,14-15H,3-6,13,16H2,1-2H3/b18-14+