ethyl 2-[5-aminocarbonyl-1-(6-azanyl-6-oxidanylidene-hexyl)-9-[(3,5-dipropylphenyl)methyl]carbazol-4-yl]oxyethanoate

Systemtic Name: ethyl 2-[5-aminocarbonyl-1-(6-azanyl-6-oxidanylidene-hexyl)-9-[(3,5-dipropylphenyl)methyl]carbazol-4-yl]oxyethanoate Openeye Name: ethyl 2-[1-(6-amino-6-oxo-hexyl)-5-carbamoyl-9-[(3,5-dipropylphenyl)methyl]carbazol-4-yl]oxyacetate CAS Name: 2-[[1-(6-amino-6-oxohexyl)-5-carbamoyl-9-[(3,5-dipropylphenyl)methyl]-4-carbazolyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(6-amino-6-oxohexyl)-5-carbamoyl-9-[(3,5-dipropylphenyl)methyl]carbazol-4-yl]oxyacetate Traditional Name: 2-[1-(6-amino-6-keto-hexyl)-5-carbamoyl-9-(3,5-dipropylbenzyl)carbazol-4-yl]oxyacetic acid ethyl ester Formula: C36H45N3O5 MolecularWeight: 599.7596

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1)CN2C3=CC=CC(=C3C4=C(C=CC(=C42)CCCCCC(=O)N)OCC(=O)OCC)C(=O)N)CCC

Isomeric SMILES

CCCC1=CC(=CC(=C1)CN2C3=CC=CC(=C3C4=C(C=CC(=C42)CCCCCC(=O)N)OCC(=O)OCC)C(=O)N)CCC

InChI

InChI=1S/C36H45N3O5/c1-4-11-24-19-25(12-5-2)21-26(20-24)22-39-29-15-10-14-28(36(38)42)33(29)34-30(44-23-32(41)43-6-3)18-17-27(35(34)39)13-8-7-9-16-31(37)40/h10,14-15,17-21H,4-9,11-13,16,22-23H2,1-3H3,(H2,37,40)(H2,38,42)