N-[2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethyl]butanamide

Systemtic Name: N-[2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethyl]butanamide Openeye Name: N-[2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoylanilino)ethyl]butanamide CAS Name: N-[2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide IUPAC Name: N-[2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide Traditional Name: N-[2-(4-amidinoanilino)-2-(4-benzoxy-3-methoxy-phenyl)ethyl]butyramide Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCC(C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCC(=O)NCC(C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H32N4O3/c1-3-7-26(32)30-17-23(31-22-13-10-20(11-14-22)27(28)29)21-12-15-24(25(16-21)33-2)34-18-19-8-5-4-6-9-19/h4-6,8-16,23,31H,3,7,17-18H2,1-2H3,(H3,28,29)(H,30,32)