ethyl 3-[[2-[2-(4-carbamimidoylphenyl)ethyl]quinazolin-7-yl]carbonyl-phenyl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[2-(4-carbamimidoylphenyl)ethyl]quinazolin-7-yl]carbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[2-[2-(4-carbamimidoylphenyl)ethyl]quinazoline-7-carbonyl]anilino)propanoate CAS Name: 3-(N-[[2-[2-(4-carbamimidoylphenyl)ethyl]-7-quinazolinyl]-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[2-[2-(4-carbamimidoylphenyl)ethyl]quinazoline-7-carbonyl]anilino)propanoate Traditional Name: 3-(N-[2-[2-(4-amidinophenyl)ethyl]quinazoline-7-carbonyl]anilino)propionic acid ethyl ester Formula: C29H29N5O3 MolecularWeight: 495.57226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=NC(=NC=C3C=C2)CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=NC(=NC=C3C=C2)CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C29H29N5O3/c1-2-37-27(35)16-17-34(24-6-4-3-5-7-24)29(36)22-13-14-23-19-32-26(33-25(23)18-22)15-10-20-8-11-21(12-9-20)28(30)31/h3-9,11-14,18-19H,2,10,15-17H2,1H3,(H3,30,31)