phenyl 2-[2-azanyl-6-[4-[1-cyclopentylbutyl(1-hydroxyethyl)amino]-4-oxidanylidene-butoxy]-4H-quinazolin-3-yl]ethanoate

Systemtic Name: phenyl 2-[2-azanyl-6-[4-[1-cyclopentylbutyl(1-hydroxyethyl)amino]-4-oxidanylidene-butoxy]-4H-quinazolin-3-yl]ethanoate Openeye Name: phenyl 2-[2-amino-6-[4-[1-cyclopentylbutyl(1-hydroxyethyl)amino]-4-oxo-butoxy]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-6-[4-[1-cyclopentylbutyl(1-hydroxyethyl)amino]-4-oxobutoxy]-4H-quinazolin-3-yl]acetic acid phenyl ester IUPAC Name: phenyl 2-[2-amino-6-[4-[1-cyclopentylbutyl(1-hydroxyethyl)amino]-4-oxobutoxy]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-6-[4-[1-cyclopentylbutyl(1-hydroxyethyl)amino]-4-keto-butoxy]-4H-quinazolin-3-yl]acetic acid phenyl ester Formula: C31H42N4O5 MolecularWeight: 550.68898

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CCCC1)N(C(C)O)C(=O)CCCOC2=CC3=C(C=C2)N=C(N(C3)CC(=O)OC4=CC=CC=C4)N

Isomeric SMILES

CCCC(C1CCCC1)N(C(C)O)C(=O)CCCOC2=CC3=C(C=C2)N=C(N(C3)CC(=O)OC4=CC=CC=C4)N

InChI

InChI=1S/C31H42N4O5/c1-3-10-28(23-11-7-8-12-23)35(22(2)36)29(37)15-9-18-39-26-16-17-27-24(19-26)20-34(31(32)33-27)21-30(38)40-25-13-5-4-6-14-25/h4-6,13-14,16-17,19,22-23,28,36H,3,7-12,15,18,20-21H2,1-2H3,(H2,32,33)