[2-[3-(octadecylamino)-3-oxidanylidene-propyl]phenyl] N-(2-azanylethyl)carbamate

Systemtic Name: [2-[3-(octadecylamino)-3-oxidanylidene-propyl]phenyl] N-(2-azanylethyl)carbamate Openeye Name: [2-[3-(octadecylamino)-3-oxo-propyl]phenyl] N-(2-aminoethyl)carbamate CAS Name: N-(2-aminoethyl)carbamic acid [2-[3-(octadecylamino)-3-oxopropyl]phenyl] ester IUPAC Name: [2-[3-(octadecylamino)-3-oxopropyl]phenyl] N-(2-aminoethyl)carbamate Traditional Name: N-(2-aminoethyl)carbamic acid [2-[3-keto-3-(stearylamino)propyl]phenyl] ester Formula: C30H53N3O3 MolecularWeight: 503.76012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)CCC1=CC=CC=C1OC(=O)NCCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)CCC1=CC=CC=C1OC(=O)NCCN

InChI

InChI=1S/C30H53N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-32-29(34)23-22-27-20-17-18-21-28(27)36-30(35)33-26-24-31/h17-18,20-21H,2-16,19,22-26,31H2,1H3,(H,32,34)(H,33,35)