pent-4-enyl N-[4-(2-methylpropylamino)cyclohepta[b]indol-7-yl]carbamate; propanedioic acid

Systemtic Name: pent-4-enyl N-[4-(2-methylpropylamino)cyclohepta[b]indol-7-yl]carbamate; propanedioic acid Openeye Name: malonic acid; pent-4-enyl N-[4-(isobutylamino)cyclohepta[b]indol-7-yl]carbamate CAS Name: N-[4-(2-methylpropylamino)-7-cyclohepta[b]indolyl]carbamic acid pent-4-enyl ester; propanedioic acid IUPAC Name: pent-4-enyl N-[4-(2-methylpropylamino)cyclohepta[b]indol-7-yl]carbamate; propanedioic acid Traditional Name: N-[4-(isobutylamino)cyclohept[b]indol-7-yl]carbamic acid pent-4-enyl ester; malonic acid Formula: C26H31N3O6 MolecularWeight: 481.54084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=CC=CC2=C3C=CC=C(C=C3N=C21)NC(=O)OCCCC=C.C(C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CNC1=CC=CC2=C3C=CC=C(C=C3N=C21)NC(=O)OCCCC=C.C(C(=O)O)C(=O)O

InChI

InChI=1S/C23H27N3O2.C3H4O4/c1-4-5-6-13-28-23(27)25-17-9-7-10-18-19-11-8-12-20(24-15-16(2)3)22(19)26-21(18)14-17;4-2(5)1-3(6)7/h4,7-12,14,16,24H,1,5-6,13,15H2,2-3H3,(H,25,27);1H2,(H,4,5)(H,6,7)