ethyl 6-[bis[(E)-but-2-enyl]amino]-9H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: ethyl 6-[bis[(E)-but-2-enyl]amino]-9H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: ethyl 6-[bis[(E)-but-2-enyl]amino]-9H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 6-[bis[(E)-but-2-enyl]amino]-9H-pyrido[3,4-b]indole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[bis[(E)-but-2-enyl]amino]-9H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 6-[bis[(E)-but-2-enyl]amino]-9H-$b-carboline-3-carboxylic acid ethyl ester Formula: C22H25N3O2 MolecularWeight: 363.4528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC=C2C(=C1)C3=C(N2)C=CC(=C3)N(CC=CC)CC=CC

Isomeric SMILES

CCOC(=O)C1=NC=C2NC3=C(C2=C1)C=C(C=C3)N(C/C=C/C)C/C=C/C

InChI

InChI=1S/C22H25N3O2/c1-4-7-11-25(12-8-5-2)16-9-10-19-17(13-16)18-14-20(22(26)27-6-3)23-15-21(18)24-19/h4-5,7-10,13-15,24H,6,11-12H2,1-3H3/b7-4+,8-5+