methyl 7-[4-[bis(azanyl)methylideneamino]phenyl]-3-(3-carbamimidoylphenyl)heptanoate

Systemtic Name: methyl 7-[4-[bis(azanyl)methylideneamino]phenyl]-3-(3-carbamimidoylphenyl)heptanoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-7-(4-guanidinophenyl)heptanoate CAS Name: 3-(3-carbamimidoylphenyl)-7-[4-(diaminomethylideneamino)phenyl]heptanoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-7-[4-(diaminomethylideneamino)phenyl]heptanoate Traditional Name: 3-(3-amidinophenyl)-7-(4-guanidinophenyl)enanthic acid methyl ester Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CCCCC1=CC=C(C=C1)N=C(N)N)C2=CC=CC(=C2)C(=N)N

Isomeric SMILES

COC(=O)CC(CCCCC1=CC=C(C=C1)N=C(N)N)C2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C22H29N5O2/c1-29-20(28)14-17(16-7-4-8-18(13-16)21(23)24)6-3-2-5-15-9-11-19(12-10-15)27-22(25)26/h4,7-13,17H,2-3,5-6,14H2,1H3,(H3,23,24)(H4,25,26,27)