2-[[1-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]-2-methyl-propyl]-prop-2-enoyl-amino]ethylcarbamic acid

Systemtic Name: 2-[[1-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]-2-methyl-propyl]-prop-2-enoyl-amino]ethylcarbamic acid Openeye Name: 2-[[1-(3-benzyl-7-chloro-4-oxo-quinazolin-2-yl)-2-methyl-propyl]-prop-2-enoyl-amino]ethylcarbamic acid CAS Name: 2-[[1-[7-chloro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]-2-methylpropyl]-(1-oxoprop-2-enyl)amino]ethylcarbamic acid IUPAC Name: 2-[[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-prop-2-enoylamino]ethylcarbamic acid Traditional Name: 2-[acryloyl-[1-(3-benzyl-7-chloro-4-keto-quinazolin-2-yl)-2-methyl-propyl]amino]ethylcarbamic acid Formula: C25H27ClN4O4 MolecularWeight: 482.95928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3)N(CCNC(=O)O)C(=O)C=C

Isomeric SMILES

CC(C)C(C1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3)N(CCNC(=O)O)C(=O)C=C

InChI

InChI=1S/C25H27ClN4O4/c1-4-21(31)29(13-12-27-25(33)34)22(16(2)3)23-28-20-14-18(26)10-11-19(20)24(32)30(23)15-17-8-6-5-7-9-17/h4-11,14,16,22,27H,1,12-13,15H2,2-3H3,(H,33,34)