phenyl N-(3-azanyl-3-oxidanylidene-propyl)-N-[1-[bis(phenylmethyl)amino]tricosan-6-yl]carbamate

Systemtic Name: phenyl N-(3-azanyl-3-oxidanylidene-propyl)-N-[1-[bis(phenylmethyl)amino]tricosan-6-yl]carbamate Openeye Name: phenyl N-(3-amino-3-oxo-propyl)-N-[1-[5-(dibenzylamino)pentyl]octadecyl]carbamate CAS Name: N-(3-amino-3-oxopropyl)-N-[1-[bis(phenylmethyl)amino]tricosan-6-yl]carbamic acid phenyl ester IUPAC Name: phenyl N-(3-amino-3-oxopropyl)-N-[1-(dibenzylamino)tricosan-6-yl]carbamate Traditional Name: N-(3-amino-3-keto-propyl)-N-[1-[5-(dibenzylamino)pentyl]octadecyl]carbamic acid phenyl ester Formula: C47H71N3O3 MolecularWeight: 726.08494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCCCN(CC1=CC=CC=C1)CC2=CC=CC=C2)N(CCC(=O)N)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCCCN(CC1=CC=CC=C1)CC2=CC=CC=C2)N(CCC(=O)N)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C47H71N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-33-44(50(39-37-46(48)51)47(52)53-45-35-26-18-27-36-45)34-25-19-28-38-49(40-42-29-20-16-21-30-42)41-43-31-22-17-23-32-43/h16-18,20-23,26-27,29-32,35-36,44H,2-15,19,24-25,28,33-34,37-41H2,1H3,(H2,48,51)