phenyl 2-[2-azanyl-8-[7-[methyl-(phenylmethyl)amino]-7-oxidanylidene-heptanoyl]-4H-quinazolin-3-yl]ethanoate

Systemtic Name: phenyl 2-[2-azanyl-8-[7-[methyl-(phenylmethyl)amino]-7-oxidanylidene-heptanoyl]-4H-quinazolin-3-yl]ethanoate Openeye Name: phenyl 2-[2-amino-8-[7-[benzyl(methyl)amino]-7-oxo-heptanoyl]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-8-[7-[methyl-(phenylmethyl)amino]-1,7-dioxoheptyl]-4H-quinazolin-3-yl]acetic acid phenyl ester IUPAC Name: phenyl 2-[2-amino-8-[7-[benzyl(methyl)amino]-7-oxoheptanoyl]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-8-[7-[benzyl(methyl)amino]-7-keto-heptanoyl]-4H-quinazolin-3-yl]acetic acid phenyl ester Formula: C31H34N4O4 MolecularWeight: 526.62606

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)CCCCCC(=O)C2=C3C(=CC=C2)CN(C(=N3)N)CC(=O)OC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)CCCCCC(=O)C2=C3C(=CC=C2)CN(C(=N3)N)CC(=O)OC4=CC=CC=C4

InChI

InChI=1S/C31H34N4O4/c1-34(20-23-12-5-2-6-13-23)28(37)19-10-4-9-18-27(36)26-17-11-14-24-21-35(31(32)33-30(24)26)22-29(38)39-25-15-7-3-8-16-25/h2-3,5-8,11-17H,4,9-10,18-22H2,1H3,(H2,32,33)