octyl 4-[6-[[1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]amino]-6-oxidanylidene-hexoxy]benzoate

Systemtic Name: octyl 4-[6-[[1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]amino]-6-oxidanylidene-hexoxy]benzoate Openeye Name: octyl 4-[6-[(5-amino-1-carbamoyl-pentyl)amino]-6-oxo-hexoxy]benzoate CAS Name: 4-[6-[(1,6-diamino-1-oxohexan-2-yl)amino]-6-oxohexoxy]benzoic acid octyl ester IUPAC Name: octyl 4-[6-[(1,6-diamino-1-oxohexan-2-yl)amino]-6-oxohexoxy]benzoate Traditional Name: 4-[6-[(5-amino-1-carbamoyl-pentyl)amino]-6-keto-hexoxy]benzoic acid octyl ester Formula: C27H45N3O5 MolecularWeight: 491.6633

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)OCCCCCC(=O)NC(CCCCN)C(=O)N

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)OCCCCCC(=O)NC(CCCCN)C(=O)N

InChI

InChI=1S/C27H45N3O5/c1-2-3-4-5-6-11-21-35-27(33)22-15-17-23(18-16-22)34-20-12-7-8-14-25(31)30-24(26(29)32)13-9-10-19-28/h15-18,24H,2-14,19-21,28H2,1H3,(H2,29,32)(H,30,31)