[2-[3-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenoxy]propyl-propan-2-yl-amino]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[3-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenoxy]propyl-propan-2-yl-amino]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[3-[4-(2-butylbenzofuran-3-carbonyl)phenoxy]propyl-isopropyl-amino]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[3-[4-[(2-butyl-3-benzofuranyl)-oxomethyl]phenoxy]propyl-propan-2-ylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-[4-(2-butyl-1-benzofuran-3-carbonyl)phenoxy]propyl-propan-2-ylamino]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[3-[4-(2-butylbenzofuran-3-carbonyl)phenoxy]propyl-isopropyl-amino]-2-keto-ethyl] ester Formula: C29H35NO6 MolecularWeight: 493.5913

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)OCCCN(C(C)C)C(=O)COC(=O)C

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)OCCCN(C(C)C)C(=O)COC(=O)C

InChI

InChI=1S/C29H35NO6/c1-5-6-11-26-28(24-10-7-8-12-25(24)36-26)29(33)22-13-15-23(16-14-22)34-18-9-17-30(20(2)3)27(32)19-35-21(4)31/h7-8,10,12-16,20H,5-6,9,11,17-19H2,1-4H3