2-benzamidoethanoic acid; (4-bromophenyl) N-[4-(methylaminomethyl)cyclohepta[b]indol-7-yl]carbamate

Systemtic Name: 2-benzamidoethanoic acid; (4-bromophenyl) N-[4-(methylaminomethyl)cyclohepta[b]indol-7-yl]carbamate Openeye Name: 2-benzamidoacetic acid; (4-bromophenyl) N-[4-(methylaminomethyl)cyclohepta[b]indol-7-yl]carbamate CAS Name: 2-benzamidoacetic acid; N-[4-(methylaminomethyl)-7-cyclohepta[b]indolyl]carbamic acid (4-bromophenyl) ester IUPAC Name: 2-benzamidoacetic acid; (4-bromophenyl) N-[4-(methylaminomethyl)cyclohepta[b]indol-7-yl]carbamate Traditional Name: 2-benzamidoacetic acid; N-[4-(methylaminomethyl)cyclohept[b]indol-7-yl]carbamic acid (4-bromophenyl) ester Formula: C31H27BrN4O5 MolecularWeight: 615.47388

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC=CC2=C3C=CC=C(C=C3N=C21)NC(=O)OC4=CC=C(C=C4)Br.C1=CC=C(C=C1)C(=O)NCC(=O)O

Isomeric SMILES

CNCC1=CC=CC2=C3C=CC=C(C=C3N=C21)NC(=O)OC4=CC=C(C=C4)Br.C1=CC=C(C=C1)C(=O)NCC(=O)O

InChI

InChI=1S/C22H18BrN3O2.C9H9NO3/c1-24-13-14-4-2-7-19-18-6-3-5-16(12-20(18)26-21(14)19)25-22(27)28-17-10-8-15(23)9-11-17;11-8(12)6-10-9(13)7-4-2-1-3-5-7/h2-12,24H,13H2,1H3,(H,25,27);1-5H,6H2,(H,10,13)(H,11,12)