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

Systemtic Name: 2-benzamidoethanoic acid; (4-bromophenyl) N-[4-(methylamino)cyclohepta[b]indol-7-yl]carbamate Openeye Name: 2-benzamidoacetic acid; (4-bromophenyl) N-[4-(methylamino)cyclohepta[b]indol-7-yl]carbamate CAS Name: 2-benzamidoacetic acid; N-[4-(methylamino)-7-cyclohepta[b]indolyl]carbamic acid (4-bromophenyl) ester IUPAC Name: 2-benzamidoacetic acid; (4-bromophenyl) N-[4-(methylamino)cyclohepta[b]indol-7-yl]carbamate Traditional Name: 2-benzamidoacetic acid; N-[4-(methylamino)cyclohept[b]indol-7-yl]carbamic acid (4-bromophenyl) ester Formula: C30H25BrN4O5 MolecularWeight: 601.4473

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=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

CNC1=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/C21H16BrN3O2.C9H9NO3/c1-23-18-7-3-6-17-16-5-2-4-14(12-19(16)25-20(17)18)24-21(26)27-15-10-8-13(22)9-11-15;11-8(12)6-10-9(13)7-4-2-1-3-5-7/h2-12,23H,1H3,(H,24,26);1-5H,6H2,(H,10,13)(H,11,12)