7-[bis(azanyl)methylideneamino]heptyl 9-azanyl-7-undecyl-4-oxa-8,10-diazaspiro[4.5]dec-8-ene-6-carboxylate

Systemtic Name: 7-[bis(azanyl)methylideneamino]heptyl 9-azanyl-7-undecyl-4-oxa-8,10-diazaspiro[4.5]dec-8-ene-6-carboxylate Openeye Name: 7-guanidinoheptyl 9-amino-7-undecyl-4-oxa-8,10-diazaspiro[4.5]dec-8-ene-6-carboxylate CAS Name: 9-amino-7-undecyl-4-oxa-8,10-diazaspiro[4.5]dec-8-ene-6-carboxylic acid 7-(diaminomethylideneamino)heptyl ester IUPAC Name: 7-(diaminomethylideneamino)heptyl 9-amino-7-undecyl-4-oxa-8,10-diazaspiro[4.5]dec-8-ene-6-carboxylate Traditional Name: 9-amino-7-undecyl-4-oxa-8,10-diazaspiro[4.5]dec-8-ene-6-carboxylic acid 7-guanidinoheptyl ester Formula: C27H52N6O3 MolecularWeight: 508.74018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1C(C2(CCCO2)NC(=N1)N)C(=O)OCCCCCCCN=C(N)N

Isomeric SMILES

CCCCCCCCCCCC1C(C2(CCCO2)NC(=N1)N)C(=O)OCCCCCCCN=C(N)N

InChI

InChI=1S/C27H52N6O3/c1-2-3-4-5-6-7-8-10-13-17-22-23(27(18-16-21-36-27)33-26(30)32-22)24(34)35-20-15-12-9-11-14-19-31-25(28)29/h22-23H,2-21H2,1H3,(H4,28,29,31)(H3,30,32,33)