2-phenylpropyl 2-[2-azanyl-6-[4-[cyclopentylmethyl(methyl)amino]-4-oxidanylidene-butoxy]-4H-quinazolin-3-yl]ethanoate

Systemtic Name: 2-phenylpropyl 2-[2-azanyl-6-[4-[cyclopentylmethyl(methyl)amino]-4-oxidanylidene-butoxy]-4H-quinazolin-3-yl]ethanoate Openeye Name: 2-phenylpropyl 2-[2-amino-6-[4-[cyclopentylmethyl(methyl)amino]-4-oxo-butoxy]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-6-[4-[cyclopentylmethyl(methyl)amino]-4-oxobutoxy]-4H-quinazolin-3-yl]acetic acid 2-phenylpropyl ester IUPAC Name: 2-phenylpropyl 2-[2-amino-6-[4-[cyclopentylmethyl(methyl)amino]-4-oxobutoxy]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-6-[4-[cyclopentylmethyl(methyl)amino]-4-keto-butoxy]-4H-quinazolin-3-yl]acetic acid 2-phenylpropyl ester Formula: C30H40N4O4 MolecularWeight: 520.663

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)CN1CC2=C(C=CC(=C2)OCCCC(=O)N(C)CC3CCCC3)N=C1N)C4=CC=CC=C4

Isomeric SMILES

CC(COC(=O)CN1CC2=C(C=CC(=C2)OCCCC(=O)N(C)CC3CCCC3)N=C1N)C4=CC=CC=C4

InChI

InChI=1S/C30H40N4O4/c1-22(24-11-4-3-5-12-24)21-38-29(36)20-34-19-25-17-26(14-15-27(25)32-30(34)31)37-16-8-13-28(35)33(2)18-23-9-6-7-10-23/h3-5,11-12,14-15,17,22-23H,6-10,13,16,18-21H2,1-2H3,(H2,31,32)