4-chloranylbenzoic acid; [(E)-hex-4-enyl] N-(4-azanylcyclohepta[b]indol-7-yl)carbamate

Systemtic Name: 4-chloranylbenzoic acid; [(E)-hex-4-enyl] N-(4-azanylcyclohepta[b]indol-7-yl)carbamate Openeye Name: 4-chlorobenzoic acid; [(E)-hex-4-enyl] N-(4-aminocyclohepta[b]indol-7-yl)carbamate CAS Name: N-(4-amino-7-cyclohepta[b]indolyl)carbamic acid [(E)-hex-4-enyl] ester; 4-chlorobenzoic acid IUPAC Name: 4-chlorobenzoic acid; [(E)-hex-4-enyl] N-(4-aminocyclohepta[b]indol-7-yl)carbamate Traditional Name: N-(4-aminocyclohept[b]indol-7-yl)carbamic acid [(E)-hex-4-enyl] ester; 4-chlorobenzoic acid Formula: C27H26ClN3O4 MolecularWeight: 491.96604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCCCOC(=O)NC1=CC=CC2=C3C=CC=C(C3=NC2=C1)N.C1=CC(=CC=C1C(=O)O)Cl

Isomeric SMILES

C/C=C/CCCOC(=O)NC1=CC=CC2=C3C=CC=C(C3=NC2=C1)N.C1=CC(=CC=C1C(=O)O)Cl

InChI

InChI=1S/C20H21N3O2.C7H5ClO2/c1-2-3-4-5-12-25-20(24)22-14-8-6-9-15-16-10-7-11-17(21)19(16)23-18(15)13-14;8-6-3-1-5(2-4-6)7(9)10/h2-3,6-11,13H,4-5,12,21H2,1H3,(H,22,24);1-4H,(H,9,10)/b3-2+;