ethyl 3-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)phenyl]amino]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)phenyl]amino]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[N-[(7-carbamimidoyl-2-naphthyl)methyl]-4-(4-ethanimidoyl-1,4-diazepan-1-yl)anilino]-3-oxo-propanoate CAS Name: 3-[N-[(7-carbamimidoyl-2-naphthalenyl)methyl]-4-[4-(1-iminoethyl)-1,4-diazepan-1-yl]anilino]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[N-[(7-carbamimidoylnaphthalen-2-yl)methyl]-4-(4-ethanimidoyl-1,4-diazepan-1-yl)anilino]-3-oxopropanoate Traditional Name: 3-[4-(4-acetimidoyl-1,4-diazepan-1-yl)-N-[(7-amidino-2-naphthyl)methyl]anilino]-3-keto-propionic acid ethyl ester Formula: C30H36N6O3 MolecularWeight: 528.64524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)N(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)N4CCCN(CC4)C(=N)C

Isomeric SMILES

CCOC(=O)CC(=O)N(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)N4CCCN(CC4)C(=N)C

InChI

InChI=1S/C30H36N6O3/c1-3-39-29(38)19-28(37)36(20-22-5-6-23-7-8-24(30(32)33)18-25(23)17-22)27-11-9-26(10-12-27)35-14-4-13-34(15-16-35)21(2)31/h5-12,17-18,31H,3-4,13-16,19-20H2,1-2H3,(H3,32,33)