(7E)-10-bromanyl-1-(phenylmethyl)-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylic acid

Systemtic Name: (7E)-10-bromanyl-1-(phenylmethyl)-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylic acid Openeye Name: (7E)-1-benzyl-10-bromo-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylic acid CAS Name: (7E)-10-bromo-1-(phenylmethyl)-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylic acid IUPAC Name: (7E)-1-benzyl-10-bromo-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylic acid Traditional Name: (7E)-1-benzyl-10-bromo-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylic acid Formula: C21H22BrNO2 MolecularWeight: 400.30888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC2=C(C=CC(=C2)Br)N(CC1)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC/C(=C\C2=C(C=CC(=C2)Br)N(CC1)CC3=CC=CC=C3)/C(=O)O

InChI

InChI=1S/C21H22BrNO2/c22-19-10-11-20-18(14-19)13-17(21(24)25)9-5-2-6-12-23(20)15-16-7-3-1-4-8-16/h1,3-4,7-8,10-11,13-14H,2,5-6,9,12,15H2,(H,24,25)/b17-13+