ethyl (4E,6E)-1-(1H-indol-3-ylmethyl)-1-azacyclopentadeca-4,6-dien-10-yne-7-carboxylate

Systemtic Name: ethyl (4E,6E)-1-(1H-indol-3-ylmethyl)-1-azacyclopentadeca-4,6-dien-10-yne-7-carboxylate Openeye Name: ethyl (4E,6E)-1-(1H-indol-3-ylmethyl)-1-azacyclopentadeca-4,6-dien-10-yne-7-carboxylate CAS Name: (4E,6E)-1-(1H-indol-3-ylmethyl)-1-azacyclopentadeca-4,6-dien-10-yne-7-carboxylic acid ethyl ester IUPAC Name: ethyl (4E,6E)-1-(1H-indol-3-ylmethyl)-1-azacyclopentadeca-4,6-dien-10-yne-7-carboxylate Traditional Name: (4E,6E)-1-(1H-indol-3-ylmethyl)-1-azacyclopentadeca-4,6-dien-10-yne-7-carboxylic acid ethyl ester Formula: C26H32N2O2 MolecularWeight: 404.54448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CCCN(CCCCC#CCC1)CC2=CNC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)/C/1=C/C=C/CCN(CCCCC#CCC1)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C26H32N2O2/c1-2-30-26(29)22-14-8-5-3-4-6-12-18-28(19-13-7-9-15-22)21-23-20-27-25-17-11-10-16-24(23)25/h7,9-11,15-17,20,27H,2,4,6,8,12-14,18-19,21H2,1H3/b9-7+,22-15+